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

13
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 139.3
[M+Na]+ 214.02970 150.8
[M-H]- 190.03320 146.4
[M+NH4]+ 209.07430 162.2
[M+K]+ 230.00364 147.7
[M+H-H2O]+ 174.03774 133.5
[M+HCOO]- 236.03868 162.4
[M+CH3COO]- 250.05433 154.6
[M+Na-2H]- 212.01515 141.2
[M]+ 191.03993 144.4
[M]- 191.04103 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