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]+ 208.133206 145.6
[M+Na]+ 230.115148 152.7
[M-H]- 206.118654 148.2
[M+NH4]+ 225.159753 166.6
[M+K]+ 246.089088 149.6
[M+H-H2O]+ 190.123190 140.1
[M+HCOO]- 252.124131 165.5
[M+CH3COO]- 266.139781 186.1
[M+Na-2H]- 228.100596 152.1
[M]+ 207.12538142 142.9
[M]- 207.12647858 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