CID 11137952

35250-67-0

Structural Information

Molecular Formula
C10H9NOS
SMILES
C1=CN(C(=C1)C=O)CC2=CC=CS2
InChI
InChI=1S/C10H9NOS/c12-8-9-3-1-5-11(9)7-10-4-2-6-13-10/h1-6,8H,7H2
InChIKey
DTVPJDHHPRORAV-UHFFFAOYSA-N
Compound name
1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

191.04048 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.047756 139.3
[M+Na]+ 214.029698 150.8
[M-H]- 190.033204 146.4
[M+NH4]+ 209.074303 162.2
[M+K]+ 230.003638 147.7
[M+H-H2O]+ 174.037740 133.5
[M+HCOO]- 236.038681 162.4
[M+CH3COO]- 250.054331 154.6
[M+Na-2H]- 212.015146 141.2
[M]+ 191.03993142 144.4
[M]- 191.04102858 144.4
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