CID 75367

3-amino-3-oxopropanoic acid

Structural Information

Molecular Formula
C3H5NO3
SMILES
C(C(=O)N)C(=O)O
InChI
InChI=1S/C3H5NO3/c4-2(5)1-3(6)7/h1H2,(H2,4,5)(H,6,7)
InChIKey
CGJMROBVSBIBKP-UHFFFAOYSA-N
Compound name
3-amino-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

17
References

1860
Patents

103.02694 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.03422 116.9
[M+Na]+ 126.01616 124.1
[M-H]- 102.01966 115.8
[M+NH4]+ 121.06076 138.5
[M+K]+ 141.99010 124.4
[M+H-H2O]+ 86.024200 112.6
[M+HCOO]- 148.02514 139.7
[M+CH3COO]- 162.04079 165.4
[M+Na-2H]- 124.00161 121.6
[M]+ 103.02639 114.9
[M]- 103.02749 114.9
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