CID 135705432

1h-imidazolium, 1-(((cyclopropylmethyl)oxy)methyl)-2-((hydroxyimino)methyl)-3-methyl-, chloride

Structural Information

Molecular Formula
C10H16N3O2
SMILES
C[N+]1=C(N(C=C1)COCC2CC2)/C=N/O
InChI
InChI=1S/C10H15N3O2/c1-12-4-5-13(10(12)6-11-14)8-15-7-9-2-3-9/h4-6,9H,2-3,7-8H2,1H3/p+1
InChIKey
WJTUQIHSCRGMMU-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-(cyclopropylmethoxymethyl)-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

210.12425 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.13153 144.4
[M+Na]+ 233.11347 154.3
[M-H]- 209.11697 149.8
[M+NH4]+ 228.15807 157.4
[M+K]+ 249.08741 145.2
[M+H-H2O]+ 193.12151 139.2
[M+HCOO]- 255.12245 168.4
[M+CH3COO]- 269.13810 184.4
[M+Na-2H]- 231.09892 151.7
[M]+ 210.12370 147.8
[M]- 210.12480 147.8
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.