CID 61645

Methylenediurea

Structural Information

Molecular Formula
C3H8N4O2
SMILES
C(NC(=O)N)NC(=O)N
InChI
InChI=1S/C3H8N4O2/c4-2(8)6-1-7-3(5)9/h1H2,(H3,4,6,8)(H3,5,7,9)
InChIKey
KQVLODRFGIKJHZ-UHFFFAOYSA-N
Compound name
(carbamoylamino)methylurea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

972
Patents

132.06473 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.072006 124.7
[M+Na]+ 155.053948 129.8
[M-H]- 131.057454 124.3
[M+NH4]+ 150.098553 144.4
[M+K]+ 171.027888 130.3
[M+H-H2O]+ 115.061990 118.4
[M+HCOO]- 177.062931 150.9
[M+CH3COO]- 191.078581 179.7
[M+Na-2H]- 153.039396 129.3
[M]+ 132.06418142 119.4
[M]- 132.06527858 119.4
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