CID 10954414

Methyl thieno[3,2-c]pyridine-6-carboxylate

Structural Information

Molecular Formula
C9H7NO2S
SMILES
COC(=O)C1=NC=C2C=CSC2=C1
InChI
InChI=1S/C9H7NO2S/c1-12-9(11)7-4-8-6(5-10-7)2-3-13-8/h2-5H,1H3
InChIKey
KQQNBNAMXWPKGP-UHFFFAOYSA-N
Compound name
methyl thieno[3,2-c]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

193.01974 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.02702 137.0
[M+Na]+ 216.00896 148.4
[M-H]- 192.01246 141.6
[M+NH4]+ 211.05356 159.2
[M+K]+ 231.98290 145.8
[M+H-H2O]+ 176.01700 131.5
[M+HCOO]- 238.01794 157.1
[M+CH3COO]- 252.03359 179.4
[M+Na-2H]- 213.99441 141.9
[M]+ 193.01919 142.9
[M]- 193.02029 142.9
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