CID 91864752

6-(benzyloxy)-1,2,3,4-tetrahydronaphthalen-2-amine

Structural Information

Molecular Formula
C17H19NO
SMILES
C1CC2=C(CC1N)C=CC(=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C17H19NO/c18-16-8-6-15-11-17(9-7-14(15)10-16)19-12-13-4-2-1-3-5-13/h1-5,7,9,11,16H,6,8,10,12,18H2
InChIKey
HVUBXTZKKMBOJG-UHFFFAOYSA-N
Compound name
6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.14667 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.15395 157.8
[M+Na]+ 276.13589 163.4
[M-H]- 252.13939 164.2
[M+NH4]+ 271.18049 175.0
[M+K]+ 292.10983 158.6
[M+H-H2O]+ 236.14393 149.7
[M+HCOO]- 298.14487 178.7
[M+CH3COO]- 312.16052 169.1
[M+Na-2H]- 274.12134 163.4
[M]+ 253.14612 154.2
[M]- 253.14722 154.2
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.