CID 72390

Procysteine

Structural Information

Molecular Formula
C4H5NO3S
SMILES
C1[C@H](NC(=O)S1)C(=O)O
InChI
InChI=1S/C4H5NO3S/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m0/s1
InChIKey
BMLMGCPTLHPWPY-REOHCLBHSA-N
Compound name
(4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

261
References

4661
Patents

146.99901 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.006286 127.8
[M+Na]+ 169.988228 135.5
[M-H]- 145.991734 127.6
[M+NH4]+ 165.032833 148.5
[M+K]+ 185.962168 133.5
[M+H-H2O]+ 129.996270 122.9
[M+HCOO]- 191.997211 142.1
[M+CH3COO]- 206.012861 164.7
[M+Na-2H]- 167.973676 128.1
[M]+ 146.99846142 125.4
[M]- 146.99955858 125.4
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