CID 13074206

3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde

Structural Information

Molecular Formula
C11H12O2
SMILES
C1CCC2=CC(=C(C=C2C1)C=O)O
InChI
InChI=1S/C11H12O2/c12-7-10-5-8-3-1-2-4-9(8)6-11(10)13/h5-7,13H,1-4H2
InChIKey
PFNMQJSEHLYYLS-UHFFFAOYSA-N
Compound name
3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

176.08372 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 135.0
[M+Na]+ 199.07294 142.7
[M-H]- 175.07644 138.2
[M+NH4]+ 194.11754 155.8
[M+K]+ 215.04688 139.5
[M+H-H2O]+ 159.08098 129.6
[M+HCOO]- 221.08192 155.1
[M+CH3COO]- 235.09757 178.3
[M+Na-2H]- 197.05839 141.7
[M]+ 176.08317 132.7
[M]- 176.08427 132.7
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