CID 135705440

1-(((4,4-dimethyl-2-pentenyl)oxy)methyl)-2-((hydroxyimino)methyl)-3-methylimidazolium cl

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]+ 253.17848 161.5
[M+Na]+ 275.16042 169.1
[M-H]- 251.16392 162.9
[M+NH4]+ 270.20502 177.9
[M+K]+ 291.13436 161.0
[M+H-H2O]+ 235.16846 157.0
[M+HCOO]- 297.16940 182.9
[M+CH3COO]- 311.18505 189.4
[M+Na-2H]- 273.14587 167.9
[M]+ 252.17065 163.8
[M]- 252.17175 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.