CID 20381334

(methylamino)(2-thienyl)acetic acid hydrochloride

Structural Information

Molecular Formula
C7H9NO2S
SMILES
CNC(C1=CC=CS1)C(=O)O
InChI
InChI=1S/C7H9NO2S/c1-8-6(7(9)10)5-3-2-4-11-5/h2-4,6,8H,1H3,(H,9,10)
InChIKey
CWIHHMWYPLTVMT-UHFFFAOYSA-N
Compound name
2-(methylamino)-2-thiophen-2-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

171.0354 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.04268 135.9
[M+Na]+ 194.02462 142.6
[M-H]- 170.02812 138.5
[M+NH4]+ 189.06922 157.3
[M+K]+ 209.99856 140.8
[M+H-H2O]+ 154.03266 130.4
[M+HCOO]- 216.03360 154.5
[M+CH3COO]- 230.04925 176.3
[M+Na-2H]- 192.01007 137.0
[M]+ 171.03485 136.3
[M]- 171.03595 136.3
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