CID 150833

Allophanic acid

Structural Information

Molecular Formula
C2H4N2O3
SMILES
C(=O)(N)NC(=O)O
InChI
InChI=1S/C2H4N2O3/c3-1(5)4-2(6)7/h(H,6,7)(H3,3,4,5)
InChIKey
AVWRKZWQTYIKIY-UHFFFAOYSA-N
Compound name
carbamoylcarbamic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

47
References

60280
Patents

104.022194 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.02947 116.6
[M+Na]+ 127.01141 123.5
[M-H]- 103.01492 115.7
[M+NH4]+ 122.05602 137.9
[M+K]+ 142.98535 124.0
[M+H-H2O]+ 87.019454 111.8
[M+HCOO]- 149.02040 140.7
[M+CH3COO]- 163.03604 166.2
[M+Na-2H]- 124.99686 121.9
[M]+ 104.02165 113.2
[M]- 104.02274 113.2
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.