CID 29649

(2r)-2-formamido-3-sulfanylpropanoic acid

Structural Information

Molecular Formula
C4H7NO3S
SMILES
C([C@@H](C(=O)O)NC=O)S
InChI
InChI=1S/C4H7NO3S/c6-2-5-3(1-9)4(7)8/h2-3,9H,1H2,(H,5,6)(H,7,8)/t3-/m0/s1
InChIKey
JTGVRUVUKGUTRL-VKHMYHEASA-N
Compound name
(2R)-2-formamido-3-sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

23
Patents

149.01466 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.02194 128.4
[M+Na]+ 172.00388 134.8
[M-H]- 148.00738 127.5
[M+NH4]+ 167.04848 148.7
[M+K]+ 187.97782 133.8
[M+H-H2O]+ 132.01192 123.2
[M+HCOO]- 194.01286 145.6
[M+CH3COO]- 208.02851 173.0
[M+Na-2H]- 169.98933 130.4
[M]+ 149.01411 129.7
[M]- 149.01521 129.7
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