CID 3065225

107321-77-7

Structural Information

Molecular Formula
C7H12N2O3S
SMILES
CC1N(C(CS1)C(=O)O)C(=O)CN
InChI
InChI=1S/C7H12N2O3S/c1-4-9(6(10)2-8)5(3-13-4)7(11)12/h4-5H,2-3,8H2,1H3,(H,11,12)
InChIKey
AOXVAZDEEBFZSZ-UHFFFAOYSA-N
Compound name
3-(2-aminoacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.05687 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06415 145.2
[M+Na]+ 227.04609 151.2
[M+NH4]+ 222.09069 151.1
[M+K]+ 243.02003 148.8
[M-H]- 203.04959 143.7
[M+Na-2H]- 225.03154 145.2
[M]+ 204.05632 145.4
[M]- 204.05742 145.4
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.