CID 135705420

1-(((cyclohexylmethyl)oxy)methyl)-2-((hydroxyimino)methyl)-3-methylimidazolium chloride

Structural Information

Molecular Formula
C13H22N3O2
SMILES
C[N+]1=C(N(C=C1)COCC2CCCCC2)/C=N/O
InChI
InChI=1S/C13H21N3O2/c1-15-7-8-16(13(15)9-14-17)11-18-10-12-5-3-2-4-6-12/h7-9,12H,2-6,10-11H2,1H3/p+1
InChIKey
TZWZRRWSJYZVDA-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-(cyclohexylmethoxymethyl)-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

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.17848 160.1
[M+Na]+ 275.16042 164.9
[M-H]- 251.16392 163.6
[M+NH4]+ 270.20502 175.5
[M+K]+ 291.13436 156.8
[M+H-H2O]+ 235.16846 153.9
[M+HCOO]- 297.16940 180.0
[M+CH3COO]- 311.18505 188.2
[M+Na-2H]- 273.14587 164.8
[M]+ 252.17065 157.1
[M]- 252.17175 157.1
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.