CID 13197589

1-(aminomethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol

Structural Information

Molecular Formula
C12H17NO2
SMILES
COC1=CC2=C(C=C1)C(CCC2)(CN)O
InChI
InChI=1S/C12H17NO2/c1-15-10-4-5-11-9(7-10)3-2-6-12(11,14)8-13/h4-5,7,14H,2-3,6,8,13H2,1H3
InChIKey
XCTAJOGFZVNQAY-UHFFFAOYSA-N
Compound name
1-(aminomethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
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 145.6
[M+Na]+ 230.11515 152.7
[M-H]- 206.11865 148.2
[M+NH4]+ 225.15975 166.6
[M+K]+ 246.08909 149.6
[M+H-H2O]+ 190.12319 140.1
[M+HCOO]- 252.12413 165.5
[M+CH3COO]- 266.13978 186.1
[M+Na-2H]- 228.10060 152.1
[M]+ 207.12538 142.9
[M]- 207.12648 142.9
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