CID 12262631

1-(aminomethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol hydrochloride

Structural Information

Molecular Formula
C12H17NO2
SMILES
COC1=CC2=C(CCCC2(CN)O)C=C1
InChI
InChI=1S/C12H17NO2/c1-15-10-5-4-9-3-2-6-12(14,8-13)11(9)7-10/h4-5,7,14H,2-3,6,8,13H2,1H3
InChIKey
LNGNAFBJTXOICZ-UHFFFAOYSA-N
Compound name
1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

207.12593 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 145.4
[M+Na]+ 230.11515 156.8
[M+NH4]+ 225.15975 155.7
[M+K]+ 246.08909 148.5
[M-H]- 206.11865 148.2
[M+Na-2H]- 228.10060 152.1
[M]+ 207.12538 147.9
[M]- 207.12648 147.9
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