CID 93329

Methyl thiazolidine-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C5H9NO2S
SMILES
COC(=O)C1CSCN1
InChI
InChI=1S/C5H9NO2S/c1-8-5(7)4-2-9-3-6-4/h4,6H,2-3H2,1H3
InChIKey
NHBNAVLHRAPNKY-UHFFFAOYSA-N
Compound name
methyl 1,3-thiazolidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

201
Patents

147.0354 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.042676 130.2
[M+Na]+ 170.024618 137.1
[M-H]- 146.028124 131.0
[M+NH4]+ 165.069223 151.7
[M+K]+ 185.998558 136.0
[M+H-H2O]+ 130.032660 124.8
[M+HCOO]- 192.033601 145.5
[M+CH3COO]- 206.049251 167.3
[M+Na-2H]- 168.010066 130.9
[M]+ 147.03485142 128.9
[M]- 147.03594858 128.9
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