CID 21973653

35615-98-6

Structural Information

Molecular Formula
C13H12O2
SMILES
CC1=CC=C(C2=CC=CC=C12)C(=O)OC
InChI
InChI=1S/C13H12O2/c1-9-7-8-12(13(14)15-2)11-6-4-3-5-10(9)11/h3-8H,1-2H3
InChIKey
LPLYJJXZWSVXHW-UHFFFAOYSA-N
Compound name
methyl 4-methylnaphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
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

literature stripe

Patent stripe

patents stripe