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

4
Patents

175.0667 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.073976 139.5
[M+Na]+ 198.055918 144.1
[M-H]- 174.059424 140.6
[M+NH4]+ 193.100523 160.2
[M+K]+ 214.029858 142.4
[M+H-H2O]+ 158.063960 134.0
[M+HCOO]- 220.064901 154.4
[M+CH3COO]- 234.080551 176.4
[M+Na-2H]- 196.041366 137.7
[M]+ 175.06615142 136.0
[M]- 175.06724858 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