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

26
Patents

200.08372 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.09100 140.9
[M+Na]+ 223.07294 150.2
[M-H]- 199.07644 145.8
[M+NH4]+ 218.11754 161.6
[M+K]+ 239.04688 147.0
[M+H-H2O]+ 183.08098 134.7
[M+HCOO]- 245.08192 164.7
[M+CH3COO]- 259.09757 186.3
[M+Na-2H]- 221.05839 148.9
[M]+ 200.08317 144.0
[M]- 200.08427 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