CID 2748348

151258-67-2

Structural Information

Molecular Formula
C10H9NO2S
SMILES
CC1=CC(=C(S1)N2C=CC=C2)C(=O)O
InChI
InChI=1S/C10H9NO2S/c1-7-6-8(10(12)13)9(14-7)11-4-2-3-5-11/h2-6H,1H3,(H,12,13)
InChIKey
GHQHUPKIJXQWKT-UHFFFAOYSA-N
Compound name
5-methyl-2-pyrrol-1-ylthiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

207.0354 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.04268 143.2
[M+Na]+ 230.02462 154.5
[M-H]- 206.02812 149.4
[M+NH4]+ 225.06922 164.9
[M+K]+ 245.99856 151.3
[M+H-H2O]+ 190.03266 137.9
[M+HCOO]- 252.03360 163.9
[M+CH3COO]- 266.04925 180.2
[M+Na-2H]- 228.01007 143.1
[M]+ 207.03485 147.6
[M]- 207.03595 147.6
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

No patent data available for this compound.