CID 3018091

1-methoxymethyl-4-methylnaphthalene

Structural Information

Molecular Formula
C13H14O
SMILES
CC1=CC=C(C2=CC=CC=C12)COC
InChI
InChI=1S/C13H14O/c1-10-7-8-11(9-14-2)13-6-4-3-5-12(10)13/h3-8H,9H2,1-2H3
InChIKey
CDZSYRIMGYFGKR-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)-4-methylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

186.10446 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.111736 138.8
[M+Na]+ 209.093678 147.9
[M-H]- 185.097184 143.8
[M+NH4]+ 204.138283 160.2
[M+K]+ 225.067618 144.8
[M+H-H2O]+ 169.101720 132.9
[M+HCOO]- 231.102661 162.3
[M+CH3COO]- 245.118311 185.1
[M+Na-2H]- 207.079126 146.8
[M]+ 186.10391142 141.1
[M]- 186.10500858 141.1
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