CID 7516684

Methyl 2-methyl-4h-thieno[3,2-b]pyrrole-5-carboxylate

Structural Information

Molecular Formula
C9H9NO2S
SMILES
CC1=CC2=C(S1)C=C(N2)C(=O)OC
InChI
InChI=1S/C9H9NO2S/c1-5-3-6-8(13-5)4-7(10-6)9(11)12-2/h3-4,10H,1-2H3
InChIKey
AGEYHRRXKZBQTG-UHFFFAOYSA-N
Compound name
methyl 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

195.0354 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.04268 140.7
[M+Na]+ 218.02462 152.4
[M-H]- 194.02812 144.4
[M+NH4]+ 213.06922 164.1
[M+K]+ 233.99856 149.6
[M+H-H2O]+ 178.03266 136.3
[M+HCOO]- 240.03360 159.9
[M+CH3COO]- 254.04925 178.4
[M+Na-2H]- 216.01007 141.8
[M]+ 195.03485 146.0
[M]- 195.03595 146.0
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