CID 54479553

2-(2-methoxynaphthalen-1-yl)acetaldehyde

Structural Information

Molecular Formula
C13H12O2
SMILES
COC1=C(C2=CC=CC=C2C=C1)CC=O
InChI
InChI=1S/C13H12O2/c1-15-13-7-6-10-4-2-3-5-11(10)12(13)8-9-14/h2-7,9H,8H2,1H3
InChIKey
XOAVYDZXOVOAJE-UHFFFAOYSA-N
Compound name
2-(2-methoxynaphthalen-1-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

200.08372 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.090996 140.9
[M+Na]+ 223.072938 150.2
[M-H]- 199.076444 145.8
[M+NH4]+ 218.117543 161.6
[M+K]+ 239.046878 147.0
[M+H-H2O]+ 183.080980 134.7
[M+HCOO]- 245.081921 164.7
[M+CH3COO]- 259.097571 186.3
[M+Na-2H]- 221.058386 148.9
[M]+ 200.08317142 144.0
[M]- 200.08426858 144.0
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