CID 598781

4-(1h-pyrrol-1-yl)benzaldehyde

Structural Information

Molecular Formula
C11H9NO
SMILES
C1=CN(C=C1)C2=CC=C(C=C2)C=O
InChI
InChI=1S/C11H9NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h1-9H
InChIKey
VMNADOXDGZJTBJ-UHFFFAOYSA-N
Compound name
4-pyrrol-1-ylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

171.06842 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07570 135.8
[M+Na]+ 194.05764 150.1
[M+NH4]+ 189.10224 145.0
[M+K]+ 210.03158 144.2
[M-H]- 170.06114 139.5
[M+Na-2H]- 192.04309 145.2
[M]+ 171.06787 138.9
[M]- 171.06897 138.9
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