CID 49767731

2-[(4-methoxyphenyl)methylamino]tetralin-5-ol

Structural Information

Molecular Formula
C18H21NO2
SMILES
COC1=CC=C(C=C1)CNC2CCC3=C(C2)C=CC=C3O
InChI
InChI=1S/C18H21NO2/c1-21-16-8-5-13(6-9-16)12-19-15-7-10-17-14(11-15)3-2-4-18(17)20/h2-6,8-9,15,19-20H,7,10-12H2,1H3
InChIKey
VFOKZZDZTDBOQT-UHFFFAOYSA-N
Compound name
6-[(4-methoxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 165.2
[M+Na]+ 306.14645 170.7
[M-H]- 282.14995 170.8
[M+NH4]+ 301.19105 180.9
[M+K]+ 322.12039 165.9
[M+H-H2O]+ 266.15449 157.1
[M+HCOO]- 328.15543 185.0
[M+CH3COO]- 342.17108 202.4
[M+Na-2H]- 304.13190 170.2
[M]+ 283.15668 163.0
[M]- 283.15778 163.0
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

No patent data available for this compound.