CID 53487025

1067274-85-4

Structural Information

Molecular Formula
C5H9NO2S
SMILES
C1[C@H](CN[C@@H]1C(=O)O)S
InChI
InChI=1S/C5H9NO2S/c7-5(8)4-1-3(9)2-6-4/h3-4,6,9H,1-2H2,(H,7,8)/t3-,4+/m1/s1
InChIKey
OYNANFOWNSGDJL-DMTCNVIQSA-N
Compound name
(2S,4R)-4-sulfanylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

147.0354 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.04268 130.0
[M+Na]+ 170.02462 137.2
[M-H]- 146.02812 129.7
[M+NH4]+ 165.06922 150.9
[M+K]+ 185.99856 135.1
[M+H-H2O]+ 130.03266 125.1
[M+HCOO]- 192.03360 143.6
[M+CH3COO]- 206.04925 166.5
[M+Na-2H]- 168.01007 129.7
[M]+ 147.03485 127.3
[M]- 147.03595 127.3
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