CID 12767976

2-(thiophen-3-yloxy)acetic acid

Structural Information

Molecular Formula
C6H6O3S
SMILES
C1=CSC=C1OCC(=O)O
InChI
InChI=1S/C6H6O3S/c7-6(8)3-9-5-1-2-10-4-5/h1-2,4H,3H2,(H,7,8)
InChIKey
ZJKVAVOAEMCJGI-UHFFFAOYSA-N
Compound name
2-thiophen-3-yloxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

158.00377 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.01105 131.1
[M+Na]+ 180.99299 140.6
[M+NH4]+ 176.03759 139.2
[M+K]+ 196.96693 136.0
[M-H]- 156.99649 131.3
[M+Na-2H]- 178.97844 135.1
[M]+ 158.00322 132.7
[M]- 158.00432 132.7
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