CID 74414

6-methoxy-1,2,3,4-tetrahydronaphthalene

Structural Information

Molecular Formula
C11H14O
SMILES
COC1=CC2=C(CCCC2)C=C1
InChI
InChI=1S/C11H14O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h6-8H,2-5H2,1H3
InChIKey
SUFDFKRJYKNTFH-UHFFFAOYSA-N
Compound name
6-methoxy-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

480
Patents

162.10446 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.111736 132.9
[M+Na]+ 185.093678 139.8
[M-H]- 161.097184 137.1
[M+NH4]+ 180.138283 154.8
[M+K]+ 201.067618 137.6
[M+H-H2O]+ 145.101720 127.1
[M+HCOO]- 207.102661 154.1
[M+CH3COO]- 221.118311 178.6
[M+Na-2H]- 183.079126 140.7
[M]+ 162.10391142 131.2
[M]- 162.10500858 131.2
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