CID 135705440

1h-imidazolium, 1-(((4,4-dimethyl-2-pentenyl)oxy)methyl)-2-((hydroxyimino)methyl)-3-methyl-, chloride

Structural Information

Molecular Formula
C13H22N3O2
SMILES
CC(C)(C)/C=C/COCN1C=C[N+](=C1/C=N/O)C
InChI
InChI=1S/C13H21N3O2/c1-13(2,3)6-5-9-18-11-16-8-7-15(4)12(16)10-14-17/h5-8,10H,9,11H2,1-4H3/p+1/b6-5+
InChIKey
UUFKGOHHOOXTQR-AATRIKPKSA-O
Compound name
(NE)-N-[[1-[[(E)-4,4-dimethylpent-2-enoxy]methyl]-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.1712 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.178476 161.5
[M+Na]+ 275.160418 169.1
[M-H]- 251.163924 162.9
[M+NH4]+ 270.205023 177.9
[M+K]+ 291.134358 161.0
[M+H-H2O]+ 235.168460 157.0
[M+HCOO]- 297.169401 182.9
[M+CH3COO]- 311.185051 189.4
[M+Na-2H]- 273.145866 167.9
[M]+ 252.17065142 163.8
[M]- 252.17174858 163.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.