CID 165910067

3-[(prop-2-en-1-yloxy)carbonyl]-1,3-thiazolidine-2-carboxylic acid

Structural Information

Molecular Formula
C8H11NO4S
SMILES
C=CCOC(=O)N1CCSC1C(=O)O
InChI
InChI=1S/C8H11NO4S/c1-2-4-13-8(12)9-3-5-14-6(9)7(10)11/h2,6H,1,3-5H2,(H,10,11)
InChIKey
HMOALXYGHQINJM-UHFFFAOYSA-N
Compound name
3-prop-2-enoxycarbonyl-1,3-thiazolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.04088 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.048156 147.4
[M+Na]+ 240.030098 153.9
[M-H]- 216.033604 148.1
[M+NH4]+ 235.074703 166.0
[M+K]+ 256.004038 152.2
[M+H-H2O]+ 200.038140 141.8
[M+HCOO]- 262.039081 161.5
[M+CH3COO]- 276.054731 180.0
[M+Na-2H]- 238.015546 145.4
[M]+ 217.04033142 148.4
[M]- 217.04142858 148.4
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

No patent data available for this compound.