CID 129965918

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

Structural Information

Molecular Formula
C10H15NO2S
SMILES
CC1=C(SC(=C1CC(C(=O)O)N)C)C
InChI
InChI=1S/C10H15NO2S/c1-5-6(2)14-7(3)8(5)4-9(11)10(12)13/h9H,4,11H2,1-3H3,(H,12,13)
InChIKey
SMHRXFBZMHIGTM-UHFFFAOYSA-N
Compound name
2-amino-3-(2,4,5-trimethylthiophen-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.08235 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08963 149.2
[M+Na]+ 236.07157 157.5
[M+NH4]+ 231.11617 156.4
[M+K]+ 252.04551 153.5
[M-H]- 212.07507 149.7
[M+Na-2H]- 234.05702 151.0
[M]+ 213.08180 150.6
[M]- 213.08290 150.6
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.