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]+ 172.042676 135.9
[M+Na]+ 194.024618 142.6
[M-H]- 170.028124 138.5
[M+NH4]+ 189.069223 157.3
[M+K]+ 209.998558 140.8
[M+H-H2O]+ 154.032660 130.4
[M+HCOO]- 216.033601 154.5
[M+CH3COO]- 230.049251 176.3
[M+Na-2H]- 192.010066 137.0
[M]+ 171.03485142 136.3
[M]- 171.03594858 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