CID 82653677

2287259-45-2

Structural Information

Molecular Formula
C7H13NO2S
SMILES
C1CSCC1CC(C(=O)O)N
InChI
InChI=1S/C7H13NO2S/c8-6(7(9)10)3-5-1-2-11-4-5/h5-6H,1-4,8H2,(H,9,10)
InChIKey
DJUYAFZWAGJKJX-UHFFFAOYSA-N
Compound name
2-amino-3-(thiolan-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

175.0667 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07398 138.3
[M+Na]+ 198.05592 144.2
[M+NH4]+ 193.10052 145.9
[M+K]+ 214.02986 140.8
[M-H]- 174.05942 138.3
[M+Na-2H]- 196.04137 139.8
[M]+ 175.06615 139.0
[M]- 175.06725 139.0
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

patents stripe