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 144.2
[M+Na]+ 227.04609 150.8
[M-H]- 203.04959 144.8
[M+NH4]+ 222.09069 163.0
[M+K]+ 243.02003 148.9
[M+H-H2O]+ 187.05413 138.6
[M+HCOO]- 249.05507 158.4
[M+CH3COO]- 263.07072 182.1
[M+Na-2H]- 225.03154 141.4
[M]+ 204.05632 142.7
[M]- 204.05742 142.7
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.