CID 15272669

3-amino-4-hydroxycyclobut-3-ene-1,2-dione

Structural Information

Molecular Formula
C4H3NO3
SMILES
C1(=C(C(=O)C1=O)O)N
InChI
InChI=1S/C4H3NO3/c5-1-2(6)4(8)3(1)7/h6H,5H2
InChIKey
DXFAKICEAMVVTD-UHFFFAOYSA-N
Compound name
3-amino-4-hydroxycyclobut-3-ene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

113.01129 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.01857 118.8
[M+Na]+ 136.00051 125.8
[M+NH4]+ 131.04511 121.9
[M+K]+ 151.97445 124.0
[M-H]- 112.00401 116.3
[M+Na-2H]- 133.98596 121.0
[M]+ 113.01074 117.6
[M]- 113.01184 117.6
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