CID 6195

1-naphthaldehyde

Structural Information

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

2D Structure

compound 2d structure
7
Annotation Hits

86
References

57988
Patents

156.05751 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.064786 128.3
[M+Na]+ 179.046728 137.6
[M-H]- 155.050234 133.3
[M+NH4]+ 174.091333 150.5
[M+K]+ 195.020668 134.4
[M+H-H2O]+ 139.054770 122.7
[M+HCOO]- 201.055711 152.7
[M+CH3COO]- 215.071361 177.1
[M+Na-2H]- 177.032176 138.2
[M]+ 156.05696142 128.8
[M]- 156.05805858 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