CID 21071957

Thienylglycine

Structural Information

Molecular Formula
C6H7NO2S
SMILES
C1=CSC(=C1)NCC(=O)O
InChI
InChI=1S/C6H7NO2S/c8-6(9)4-7-5-2-1-3-10-5/h1-3,7H,4H2,(H,8,9)
InChIKey
UNQHGXLQKSZYQU-UHFFFAOYSA-N
Compound name
2-(thiophen-2-ylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

886
Patents

157.01974 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.027016 130.6
[M+Na]+ 180.008958 138.1
[M-H]- 156.012464 133.3
[M+NH4]+ 175.053563 152.7
[M+K]+ 195.982898 136.0
[M+H-H2O]+ 140.017000 125.3
[M+HCOO]- 202.017941 150.6
[M+CH3COO]- 216.033591 172.4
[M+Na-2H]- 177.994406 133.4
[M]+ 157.01919142 131.3
[M]- 157.02028858 131.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe