CID 12222793

56671-63-7

Structural Information

Molecular Formula
C9H7NO
SMILES
C1=CC2=CC=C(N2C=C1)C=O
InChI
InChI=1S/C9H7NO/c11-7-9-5-4-8-3-1-2-6-10(8)9/h1-7H
InChIKey
VECXNXBOZXLDBL-UHFFFAOYSA-N
Compound name
indolizine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

145.05276 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.06004 124.9
[M+Na]+ 168.04198 136.1
[M-H]- 144.04548 129.1
[M+NH4]+ 163.08658 148.3
[M+K]+ 184.01592 133.2
[M+H-H2O]+ 128.05002 119.1
[M+HCOO]- 190.05096 150.9
[M+CH3COO]- 204.06661 140.5
[M+Na-2H]- 166.02743 134.2
[M]+ 145.05221 127.5
[M]- 145.05331 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe