CID 13491498

73721-17-2

Structural Information

Molecular Formula
C13H12O2
SMILES
CC1=C(C=CC2=CC=CC=C12)C(=O)OC
InChI
InChI=1S/C13H12O2/c1-9-11-6-4-3-5-10(11)7-8-12(9)13(14)15-2/h3-8H,1-2H3
InChIKey
RJCOLHYGLMOBPX-UHFFFAOYSA-N
Compound name
methyl 1-methylnaphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

200.08372 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.09100 141.2
[M+Na]+ 223.07294 150.3
[M-H]- 199.07644 146.3
[M+NH4]+ 218.11754 161.9
[M+K]+ 239.04688 147.7
[M+H-H2O]+ 183.08098 135.2
[M+HCOO]- 245.08192 164.1
[M+CH3COO]- 259.09757 186.5
[M+Na-2H]- 221.05839 148.0
[M]+ 200.08317 143.6
[M]- 200.08427 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

No literature data available for this compound.

Patent stripe

patents stripe