CID 13848532

Methyl 2-amino-2-(thiophen-2-yl)acetate hydrochloride

Structural Information

Molecular Formula
C7H9NO2S
SMILES
COC(=O)C(C1=CC=CS1)N
InChI
InChI=1S/C7H9NO2S/c1-10-7(9)6(8)5-3-2-4-11-5/h2-4,6H,8H2,1H3
InChIKey
NIQYTSNCFFGUMC-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-thiophen-2-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

171.0354 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.042676 136.2
[M+Na]+ 194.024618 143.5
[M-H]- 170.028124 139.8
[M+NH4]+ 189.069223 158.2
[M+K]+ 209.998558 142.2
[M+H-H2O]+ 154.032660 130.6
[M+HCOO]- 216.033601 155.7
[M+CH3COO]- 230.049251 177.5
[M+Na-2H]- 192.010066 136.8
[M]+ 171.03485142 137.4
[M]- 171.03594858 137.4
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