CID 82653677

2-amino-3-(thiolan-3-yl)propanoic acid hydrochloride

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

9
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 139.5
[M+Na]+ 198.05592 144.1
[M-H]- 174.05942 140.6
[M+NH4]+ 193.10052 160.2
[M+K]+ 214.02986 142.4
[M+H-H2O]+ 158.06396 134.0
[M+HCOO]- 220.06490 154.4
[M+CH3COO]- 234.08055 176.4
[M+Na-2H]- 196.04137 137.7
[M]+ 175.06615 136.0
[M]- 175.06725 136.0
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