CID 31539

1-naphthaleneethanol, alpha-((tert-butylamino)methyl)-, hydrochloride

Structural Information

Molecular Formula
C17H23NO
SMILES
CC(C)(C)NCC(CC1=CC=CC2=CC=CC=C21)O
InChI
InChI=1S/C17H23NO/c1-17(2,3)18-12-15(19)11-14-9-6-8-13-7-4-5-10-16(13)14/h4-10,15,18-19H,11-12H2,1-3H3
InChIKey
WYLTYGQPPJXOHB-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-naphthalen-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.17798 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.185256 162.9
[M+Na]+ 280.167198 168.1
[M-H]- 256.170704 165.5
[M+NH4]+ 275.211803 180.1
[M+K]+ 296.141138 164.1
[M+H-H2O]+ 240.175240 156.5
[M+HCOO]- 302.176181 181.8
[M+CH3COO]- 316.191831 198.9
[M+Na-2H]- 278.152646 168.7
[M]+ 257.17743142 162.4
[M]- 257.17852858 162.4
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.