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

64246
References

542748
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.