CID 119555

88876-94-2

Structural Information

Molecular Formula
C10H16N4O3
SMILES
CC1C(N1CC(CN2C=CN=C2[N+](=O)[O-])O)C
InChI
InChI=1S/C10H16N4O3/c1-7-8(2)13(7)6-9(15)5-12-4-3-11-10(12)14(16)17/h3-4,7-9,15H,5-6H2,1-2H3
InChIKey
VKUQQJFQNDTATQ-UHFFFAOYSA-N
Compound name
1-(2,3-dimethylaziridin-1-yl)-3-(2-nitroimidazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

2
Patents

240.12224 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12952 154.3
[M+Na]+ 263.11146 163.7
[M-H]- 239.11496 157.3
[M+NH4]+ 258.15606 164.0
[M+K]+ 279.08540 155.0
[M+H-H2O]+ 223.11950 151.0
[M+HCOO]- 285.12044 174.6
[M+CH3COO]- 299.13609 189.1
[M+Na-2H]- 261.09691 158.1
[M]+ 240.12169 156.1
[M]- 240.12279 156.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe