CID 11446308

60754-31-6

Structural Information

Molecular Formula
C3H7N3O2
SMILES
CN(C(=O)N)C(=O)N
InChI
InChI=1S/C3H7N3O2/c1-6(2(4)7)3(5)8/h1H3,(H2,4,7)(H2,5,8)
InChIKey
BTUIPMFAUUCTCW-UHFFFAOYSA-N
Compound name
1-carbamoyl-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

117.053825 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.06110 122.2
[M+Na]+ 140.04304 128.5
[M-H]- 116.04655 123.5
[M+NH4]+ 135.08765 143.7
[M+K]+ 156.01698 130.3
[M+H-H2O]+ 100.05108 116.6
[M+HCOO]- 162.05203 148.1
[M+CH3COO]- 176.06768 177.6
[M+Na-2H]- 138.02849 125.8
[M]+ 117.05328 119.0
[M]- 117.05437 119.0
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.