CID 25828

N-methylethyleneurea

Structural Information

Molecular Formula
C4H8N2O
SMILES
CNC(=O)N1CC1
InChI
InChI=1S/C4H8N2O/c1-5-4(7)6-2-3-6/h2-3H2,1H3,(H,5,7)
InChIKey
AWDNCVJVQYZMTL-UHFFFAOYSA-N
Compound name
N-methylaziridine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

100.06366 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.07094 122.2
[M+Na]+ 123.05288 131.7
[M-H]- 99.056384 125.9
[M+NH4]+ 118.09748 139.1
[M+K]+ 139.02682 130.3
[M+H-H2O]+ 83.060920 115.9
[M+HCOO]- 145.06186 146.3
[M+CH3COO]- 159.07751 171.3
[M+Na-2H]- 121.03833 129.6
[M]+ 100.06311 123.6
[M]- 100.06421 123.6
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