CID 315482

3-hydroxynaphthalene-2-carbaldehyde

Structural Information

Molecular Formula
C11H8O2
SMILES
C1=CC=C2C=C(C(=CC2=C1)C=O)O
InChI
InChI=1S/C11H8O2/c12-7-10-5-8-3-1-2-4-9(8)6-11(10)13/h1-7,13H
InChIKey
QCUNDLUTTXSPFM-UHFFFAOYSA-N
Compound name
3-hydroxynaphthalene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1446
Patents

172.05243 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.05971 131.9
[M+Na]+ 195.04165 141.6
[M-H]- 171.04515 135.8
[M+NH4]+ 190.08625 153.0
[M+K]+ 211.01559 138.1
[M+H-H2O]+ 155.04969 126.5
[M+HCOO]- 217.05063 154.9
[M+CH3COO]- 231.06628 177.6
[M+Na-2H]- 193.02710 140.6
[M]+ 172.05188 132.4
[M]- 172.05298 132.4
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