CID 22195

1-(methoxymethyl)naphthalene

Structural Information

Molecular Formula
C12H12O
SMILES
COCC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C12H12O/c1-13-9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3
InChIKey
RRCDOVBQOMYGGJ-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

331
Patents

172.08882 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.09610 134.4
[M+Na]+ 195.07804 143.0
[M-H]- 171.08154 139.2
[M+NH4]+ 190.12264 156.1
[M+K]+ 211.05198 140.1
[M+H-H2O]+ 155.08608 128.5
[M+HCOO]- 217.08702 158.2
[M+CH3COO]- 231.10267 181.0
[M+Na-2H]- 193.06349 143.7
[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