CID 129103241

Schembl18823490

Structural Information

Molecular Formula
C5H9NO4
SMILES
CC([C@@H](C(=O)O)NC=O)O
InChI
InChI=1S/C5H9NO4/c1-3(8)4(5(9)10)6-2-7/h2-4,8H,1H3,(H,6,7)(H,9,10)/t3?,4-/m0/s1
InChIKey
XPMTWLZSOSJMDJ-BKLSDQPFSA-N
Compound name
(2S)-2-formamido-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

147.05316 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.060436 129.2
[M+Na]+ 170.042378 134.9
[M-H]- 146.045884 126.9
[M+NH4]+ 165.086983 148.4
[M+K]+ 186.016318 135.1
[M+H-H2O]+ 130.050420 124.5
[M+HCOO]- 192.051361 149.6
[M+CH3COO]- 206.067011 172.8
[M+Na-2H]- 168.027826 132.1
[M]+ 147.05261142 127.8
[M]- 147.05370858 127.8
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