CID 12437

1,1,3,3-tetramethylurea

Structural Information

Molecular Formula
C5H12N2O
SMILES
CN(C)C(=O)N(C)C
InChI
InChI=1S/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3
InChIKey
AVQQQNCBBIEMEU-UHFFFAOYSA-N
Compound name
1,1,3,3-tetramethylurea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

81
References

68278
Patents

116.09496 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.10224 124.5
[M+Na]+ 139.08418 131.0
[M-H]- 115.08768 128.1
[M+NH4]+ 134.12878 148.0
[M+K]+ 155.05812 134.2
[M+H-H2O]+ 99.092220 119.2
[M+HCOO]- 161.09316 151.1
[M+CH3COO]- 175.10881 181.5
[M+Na-2H]- 137.06963 129.8
[M]+ 116.09441 126.3
[M]- 116.09551 126.3
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