CID 21447024

93982-05-9

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1CN(CC2=C1C(=CC=C2)O)C=O
InChI
InChI=1S/C10H11NO2/c12-7-11-5-4-9-8(6-11)2-1-3-10(9)13/h1-3,7,13H,4-6H2
InChIKey
REHVPMWAQZHMID-UHFFFAOYSA-N
Compound name
5-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

177.07898 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 135.5
[M+Na]+ 200.068198 143.6
[M-H]- 176.071704 137.3
[M+NH4]+ 195.112803 154.9
[M+K]+ 216.042138 140.5
[M+H-H2O]+ 160.076240 129.2
[M+HCOO]- 222.077181 154.6
[M+CH3COO]- 236.092831 178.0
[M+Na-2H]- 198.053646 142.7
[M]+ 177.07843142 133.3
[M]- 177.07952858 133.3
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