CID 20398

1-aminobiurea

Structural Information

Molecular Formula
C2H7N5O2
SMILES
C(=O)(N)NNC(=O)NN
InChI
InChI=1S/C2H7N5O2/c3-1(8)6-7-2(9)5-4/h4H2,(H3,3,6,8)(H2,5,7,9)
InChIKey
PHJAUGHMFVQKPC-UHFFFAOYSA-N
Compound name
1-amino-3-(carbamoylamino)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

133.05997 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06725 123.1
[M+Na]+ 156.04919 127.9
[M-H]- 132.05269 123.0
[M+NH4]+ 151.09379 142.4
[M+K]+ 172.02313 128.8
[M+H-H2O]+ 116.05723 116.4
[M+HCOO]- 178.05817 150.6
[M+CH3COO]- 192.07382 180.9
[M+Na-2H]- 154.03464 128.5
[M]+ 133.05942 116.4
[M]- 133.06052 116.4
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

patents stripe