CID 1176

Urea

Structural Information

Molecular Formula
CH4N2O
SMILES
C(=O)(N)N
InChI
InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
InChIKey
XSQUKJJJFZCRTK-UHFFFAOYSA-N
Compound name
urea
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

64160
References

494176
Patents

60.032364 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 61.039640 106.8
[M+Na]+ 83.021582 114.4
[M-H]- 59.025088 106.8
[M+NH4]+ 78.066187 130.4
[M+K]+ 98.995522 114.9
[M+H-H2O]+ 43.029624 102.4
[M+HCOO]- 105.03056 132.3
[M+CH3COO]- 119.04622 162.1
[M+Na-2H]- 81.007030 113.4
[M]+ 60.031815 102.5
[M]- 60.032913 102.5
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