CID 11719

Methylurea

Structural Information

Molecular Formula
C2H6N2O
SMILES
CNC(=O)N
InChI
InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)
InChIKey
XGEGHDBEHXKFPX-UHFFFAOYSA-N
Compound name
methylurea
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

281
References

38690
Patents

74.04801 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 75.055286 111.3
[M+Na]+ 97.037228 118.5
[M-H]- 73.040734 111.7
[M+NH4]+ 92.081833 134.7
[M+K]+ 113.01117 119.2
[M+H-H2O]+ 57.045270 106.7
[M+HCOO]- 119.04621 137.2
[M+CH3COO]- 133.06186 165.1
[M+Na-2H]- 95.022676 118.4
[M]+ 74.047461 108.3
[M]- 74.048559 108.3
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