CID 4381467

24821-54-3

Structural Information

Molecular Formula
C12H12O
SMILES
CC1=CC=C(C2=CC=CC=C12)OC
InChI
InChI=1S/C12H12O/c1-9-7-8-12(13-2)11-6-4-3-5-10(9)11/h3-8H,1-2H3
InChIKey
DUXRFNPXLWUXMT-UHFFFAOYSA-N
Compound name
1-methoxy-4-methylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

363
Patents

172.08882 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.09610 134.0
[M+Na]+ 195.07804 143.5
[M-H]- 171.08154 139.1
[M+NH4]+ 190.12264 156.0
[M+K]+ 211.05198 140.7
[M+H-H2O]+ 155.08608 128.3
[M+HCOO]- 217.08702 157.8
[M+CH3COO]- 231.10267 182.1
[M+Na-2H]- 193.06349 142.6
[M]+ 172.08827 136.0
[M]- 172.08937 136.0
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