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

110
Patents

171.06842 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.075696 133.8
[M+Na]+ 194.057638 143.0
[M-H]- 170.061144 139.7
[M+NH4]+ 189.102243 154.6
[M+K]+ 210.031578 139.9
[M+H-H2O]+ 154.065680 126.8
[M+HCOO]- 216.066621 159.2
[M+CH3COO]- 230.082271 177.9
[M+Na-2H]- 192.043086 140.3
[M]+ 171.06787142 134.3
[M]- 171.06896858 134.3
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