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

106
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 133.8
[M+Na]+ 194.05764 143.0
[M-H]- 170.06114 139.7
[M+NH4]+ 189.10224 154.6
[M+K]+ 210.03158 139.9
[M+H-H2O]+ 154.06568 126.8
[M+HCOO]- 216.06662 159.2
[M+CH3COO]- 230.08227 177.9
[M+Na-2H]- 192.04309 140.3
[M]+ 171.06787 134.3
[M]- 171.06897 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