CID 3264861

15159-14-5

Structural Information

Molecular Formula
C12H14O2
SMILES
CC1=C(C=CC2=C1CCCC2=O)OC
InChI
InChI=1S/C12H14O2/c1-8-9-4-3-5-11(13)10(9)6-7-12(8)14-2/h6-7H,3-5H2,1-2H3
InChIKey
AFKLJBSAUUJPPS-UHFFFAOYSA-N
Compound name
6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

190.09938 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 138.6
[M+Na]+ 213.08860 147.1
[M-H]- 189.09210 143.4
[M+NH4]+ 208.13320 159.9
[M+K]+ 229.06254 144.7
[M+H-H2O]+ 173.09664 133.0
[M+HCOO]- 235.09758 159.8
[M+CH3COO]- 249.11323 185.1
[M+Na-2H]- 211.07405 144.5
[M]+ 190.09883 138.8
[M]- 190.09993 138.8
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