CID 443424

L-3-oxoalaninate

Structural Information

Molecular Formula
C3H5NO3
SMILES
C(=O)[C@@H](C(=O)O)N
InChI
InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h1-2H,4H2,(H,6,7)/t2-/m0/s1
InChIKey
XMTCKNXTTXDPJX-REOHCLBHSA-N
Compound name
(2S)-2-amino-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

33
References

576
Patents

103.02694 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.034216 116.9
[M+Na]+ 126.016158 124.1
[M-H]- 102.019664 115.8
[M+NH4]+ 121.060763 138.5
[M+K]+ 141.990098 124.4
[M+H-H2O]+ 86.024200 112.6
[M+HCOO]- 148.025141 139.7
[M+CH3COO]- 162.040791 165.4
[M+Na-2H]- 124.001606 121.6
[M]+ 103.02639142 114.9
[M]- 103.02748858 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