CID 47294

Azimexon

Structural Information

Molecular Formula
C9H14N4O
SMILES
CC(C)(N1CC1C#N)N2CC2C(=O)N
InChI
InChI=1S/C9H14N4O/c1-9(2,12-4-6(12)3-10)13-5-7(13)8(11)14/h6-7H,4-5H2,1-2H3,(H2,11,14)
InChIKey
RPZOFMHRRHHDPZ-UHFFFAOYSA-N
Compound name
1-[2-(2-cyanoaziridin-1-yl)propan-2-yl]aziridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

47
References

1049
Patents

194.11676 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.12404 154.0
[M+Na]+ 217.10598 170.0
[M-H]- 193.10948 160.8
[M+NH4]+ 212.15058 162.0
[M+K]+ 233.07992 162.4
[M+H-H2O]+ 177.11402 146.5
[M+HCOO]- 239.11496 170.9
[M+CH3COO]- 253.13061 209.4
[M+Na-2H]- 215.09143 158.0
[M]+ 194.11621 155.3
[M]- 194.11731 155.3
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