CID 11446308

1-carbamoyl-1-methylurea

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

15
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 122.8
[M+Na]+ 140.04304 129.1
[M+NH4]+ 135.08765 129.0
[M+K]+ 156.01698 127.6
[M-H]- 116.04655 122.1
[M+Na-2H]- 138.02849 125.0
[M]+ 117.05328 122.8
[M]- 117.05437 122.8
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