CID 54776076

1315375-69-9

Structural Information

Molecular Formula
C9H13NO2S
SMILES
CC(C1=CC=CS1)(C(=O)O)N(C)C
InChI
InChI=1S/C9H13NO2S/c1-9(8(11)12,10(2)3)7-5-4-6-13-7/h4-6H,1-3H3,(H,11,12)
InChIKey
LEAWFCQKSZVTCC-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-2-thiophen-2-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.0667 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07398 145.1
[M+Na]+ 222.05592 153.1
[M+NH4]+ 217.10052 152.9
[M+K]+ 238.02986 149.4
[M-H]- 198.05942 145.6
[M+Na-2H]- 220.04137 148.9
[M]+ 199.06615 146.6
[M]- 199.06725 146.6
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.