CID 165910067

En300-28273711

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]+ 218.04816 147.4
[M+Na]+ 240.03010 153.9
[M-H]- 216.03360 148.1
[M+NH4]+ 235.07470 166.0
[M+K]+ 256.00404 152.2
[M+H-H2O]+ 200.03814 141.8
[M+HCOO]- 262.03908 161.5
[M+CH3COO]- 276.05473 180.0
[M+Na-2H]- 238.01555 145.4
[M]+ 217.04033 148.4
[M]- 217.04143 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.