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]+ 253.17848 159.2
[M+Na]+ 275.16042 162.5
[M-H]- 251.16392 163.9
[M+NH4]+ 270.20502 173.5
[M+K]+ 291.13436 159.0
[M+H-H2O]+ 235.16846 152.2
[M+HCOO]- 297.16940 178.2
[M+CH3COO]- 311.18505 189.6
[M+Na-2H]- 273.14587 163.2
[M]+ 252.17065 153.1
[M]- 252.17175 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.