CID 128712

104970-07-2

Structural Information

Molecular Formula
C11H18N4O3
SMILES
CC(C)C1CN1CC(CN2C=CN=C2[N+](=O)[O-])O
InChI
InChI=1S/C11H18N4O3/c1-8(2)10-7-14(10)6-9(16)5-13-4-3-12-11(13)15(17)18/h3-4,8-10,16H,5-7H2,1-2H3
InChIKey
IOLDQEUSULQVRY-UHFFFAOYSA-N
Compound name
1-(2-nitroimidazol-1-yl)-3-(2-propan-2-ylaziridin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

254.1379 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14518 157.3
[M+Na]+ 277.12712 165.2
[M-H]- 253.13062 160.0
[M+NH4]+ 272.17172 166.2
[M+K]+ 293.10106 156.9
[M+H-H2O]+ 237.13516 153.8
[M+HCOO]- 299.13610 176.6
[M+CH3COO]- 313.15175 191.5
[M+Na-2H]- 275.11257 160.4
[M]+ 254.13735 158.6
[M]- 254.13845 158.6
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

No patent data available for this compound.