CID 23635737

2-(benzylamino)tetralin-5-ol

Structural Information

Molecular Formula
C17H19NO
SMILES
C1CC2=C(CC1NCC3=CC=CC=C3)C=CC=C2O
InChI
InChI=1S/C17H19NO/c19-17-8-4-7-14-11-15(9-10-16(14)17)18-12-13-5-2-1-3-6-13/h1-8,15,18-19H,9-12H2
InChIKey
MICQCAYAHFBNRP-UHFFFAOYSA-N
Compound name
6-(benzylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

253.14667 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.15395 157.0
[M+Na]+ 276.13589 162.2
[M-H]- 252.13939 162.5
[M+NH4]+ 271.18049 173.8
[M+K]+ 292.10983 156.9
[M+H-H2O]+ 236.14393 149.2
[M+HCOO]- 298.14487 177.0
[M+CH3COO]- 312.16052 167.9
[M+Na-2H]- 274.12134 163.3
[M]+ 253.14612 152.6
[M]- 253.14722 152.6
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