CID 135705416

1-((cycloheptyloxy)methyl)-2-((hydroxyimino)methyl)-3-methylimidazolium chloride

Structural Information

Molecular Formula
C13H22N3O2
SMILES
C[N+]1=C(N(C=C1)COC2CCCCCC2)/C=N/O
InChI
InChI=1S/C13H21N3O2/c1-15-8-9-16(13(15)10-14-17)11-18-12-6-4-2-3-5-7-12/h8-10,12H,2-7,11H2,1H3/p+1
InChIKey
SEXRBMQJOVLAOR-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-(cycloheptyloxymethyl)-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.1712 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.178476 159.2
[M+Na]+ 275.160418 162.5
[M-H]- 251.163924 163.9
[M+NH4]+ 270.205023 173.5
[M+K]+ 291.134358 159.0
[M+H-H2O]+ 235.168460 152.2
[M+HCOO]- 297.169401 178.2
[M+CH3COO]- 311.185051 189.6
[M+Na-2H]- 273.145866 163.2
[M]+ 252.17065142 153.1
[M]- 252.17174858 153.1
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.