CID 11805727

2-methyl-1-naphthyl acetate

Structural Information

Molecular Formula
C13H12O2
SMILES
CC1=C(C2=CC=CC=C2C=C1)OC(=O)C
InChI
InChI=1S/C13H12O2/c1-9-7-8-11-5-3-4-6-12(11)13(9)15-10(2)14/h3-8H,1-2H3
InChIKey
WVOAPRDRMLHUMI-UHFFFAOYSA-N
Compound name
(2-methylnaphthalen-1-yl) acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2468
Patents

200.08372 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.090996 141.2
[M+Na]+ 223.072938 150.3
[M-H]- 199.076444 146.3
[M+NH4]+ 218.117543 161.9
[M+K]+ 239.046878 147.7
[M+H-H2O]+ 183.080980 135.2
[M+HCOO]- 245.081921 164.1
[M+CH3COO]- 259.097571 186.5
[M+Na-2H]- 221.058386 148.0
[M]+ 200.08317142 143.6
[M]- 200.08426858 143.6
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