CID 135705464

2-((hydroxyimino)methyl)-1-(methoxymethyl)-3-methyl-1h-imidazolium chloride

Structural Information

Molecular Formula
C7H12N3O2
SMILES
C[N+]1=C(N(C=C1)COC)/C=N/O
InChI
InChI=1S/C7H11N3O2/c1-9-3-4-10(6-12-2)7(9)5-8-11/h3-5H,6H2,1-2H3/p+1
InChIKey
YIIHPMSLLAVJGP-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-(methoxymethyl)-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

170.09296 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10024 133.7
[M+Na]+ 193.08218 143.1
[M-H]- 169.08568 135.7
[M+NH4]+ 188.12678 153.3
[M+K]+ 209.05612 136.7
[M+H-H2O]+ 153.09022 129.5
[M+HCOO]- 215.09116 158.5
[M+CH3COO]- 229.10681 173.4
[M+Na-2H]- 191.06763 142.3
[M]+ 170.09241 135.3
[M]- 170.09351 135.3
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.