CID 11137952

1-(thiophen-2-ylmethyl)-1h-pyrrole-2-carbaldehyde

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]+ 192.04776 140.5
[M+Na]+ 214.02970 153.3
[M+NH4]+ 209.07430 149.9
[M+K]+ 230.00364 147.6
[M-H]- 190.03320 143.8
[M+Na-2H]- 212.01515 148.0
[M]+ 191.03993 143.7
[M]- 191.04103 143.7
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