CID 6201

2-naphthaldehyde

Structural Information

Molecular Formula
C11H8O
SMILES
C1=CC=C2C=C(C=CC2=C1)C=O
InChI
InChI=1S/C11H8O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H
InChIKey
PJKVFARRVXDXAD-UHFFFAOYSA-N
Compound name
naphthalene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

38
References

18028
Patents

156.05751 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.06479 128.3
[M+Na]+ 179.04673 137.6
[M-H]- 155.05023 133.3
[M+NH4]+ 174.09133 150.5
[M+K]+ 195.02067 134.4
[M+H-H2O]+ 139.05477 122.7
[M+HCOO]- 201.05571 152.7
[M+CH3COO]- 215.07136 177.1
[M+Na-2H]- 177.03218 138.2
[M]+ 156.05696 128.8
[M]- 156.05806 128.8
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