CID 231555

Isoquinoline-3-carbaldehyde

Structural Information

Molecular Formula
C10H7NO
SMILES
C1=CC=C2C=NC(=CC2=C1)C=O
InChI
InChI=1S/C10H7NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-7H
InChIKey
XOYMAJLARWXZBA-UHFFFAOYSA-N
Compound name
isoquinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

376
Patents

157.05276 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.06004 129.8
[M+Na]+ 180.04198 145.4
[M+NH4]+ 175.08658 139.6
[M+K]+ 196.01592 137.4
[M-H]- 156.04548 132.9
[M+Na-2H]- 178.02743 138.8
[M]+ 157.05221 133.0
[M]- 157.05331 133.0
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