CID 135705512

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

Structural Information

Molecular Formula
C13H16N3O2
SMILES
C[N+]1=C(N(C=C1)COCC2=CC=CC=C2)/C=N/O
InChI
InChI=1S/C13H15N3O2/c1-15-7-8-16(13(15)9-14-17)11-18-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3/p+1
InChIKey
CFMRJASTZUANCF-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-methyl-3-(phenylmethoxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

246.12425 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13153 156.0
[M+Na]+ 269.11347 163.9
[M-H]- 245.11697 160.7
[M+NH4]+ 264.15807 171.9
[M+K]+ 285.08741 155.1
[M+H-H2O]+ 229.12151 149.8
[M+HCOO]- 291.12245 180.2
[M+CH3COO]- 305.13810 187.1
[M+Na-2H]- 267.09892 163.6
[M]+ 246.12370 157.3
[M]- 246.12480 157.3
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.