CID 19469

Aziridinyl urea

Structural Information

Molecular Formula
C3H6N2O
SMILES
C1CN1C(=O)N
InChI
InChI=1S/C3H6N2O/c4-3(6)5-1-2-5/h1-2H2,(H2,4,6)
InChIKey
FFBZKUHRIXKOSY-UHFFFAOYSA-N
Compound name
aziridine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5543
Patents

86.04801 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.055286 117.5
[M+Na]+ 109.03723 127.3
[M-H]- 85.040734 120.8
[M+NH4]+ 104.08183 134.6
[M+K]+ 125.01117 125.8
[M+H-H2O]+ 69.045270 111.3
[M+HCOO]- 131.04621 141.3
[M+CH3COO]- 145.06186 168.4
[M+Na-2H]- 107.02268 124.4
[M]+ 86.047461 117.6
[M]- 86.048559 117.6
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

patents stripe