CID 12435

Trimethylurea

Structural Information

Molecular Formula
C4H10N2O
SMILES
CNC(=O)N(C)C
InChI
InChI=1S/C4H10N2O/c1-5-4(7)6(2)3/h1-3H3,(H,5,7)
InChIKey
COSWCAGTKRUTQV-UHFFFAOYSA-N
Compound name
1,1,3-trimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3045
Patents

102.079315 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.08659 120.3
[M+Na]+ 125.06853 127.0
[M-H]- 101.07204 122.5
[M+NH4]+ 120.11314 143.7
[M+K]+ 141.04247 129.0
[M+H-H2O]+ 85.076575 115.2
[M+HCOO]- 147.07752 146.7
[M+CH3COO]- 161.09317 174.8
[M+Na-2H]- 123.05398 126.7
[M]+ 102.07877 120.3
[M]- 102.07986 120.3
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