CID 15290359

Isoquinoline-6-carboxaldehyde

Structural Information

Molecular Formula
C10H7NO
SMILES
C1=CC2=C(C=CN=C2)C=C1C=O
InChI
InChI=1S/C10H7NO/c12-7-8-1-2-10-6-11-4-3-9(10)5-8/h1-7H
InChIKey
SXPXHJKHWVCCRO-UHFFFAOYSA-N
Compound name
isoquinoline-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

157.05276 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.060036 128.6
[M+Na]+ 180.041978 138.4
[M-H]- 156.045484 132.2
[M+NH4]+ 175.086583 149.4
[M+K]+ 196.015918 135.2
[M+H-H2O]+ 140.050020 122.1
[M+HCOO]- 202.050961 152.0
[M+CH3COO]- 216.066611 143.0
[M+Na-2H]- 178.027426 139.1
[M]+ 157.05221142 129.3
[M]- 157.05330858 129.3
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