CID 31539

Alpha-((tert-butylamino)methyl)-1-naphthaleneethanol 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]+ 258.18526 162.9
[M+Na]+ 280.16720 168.1
[M-H]- 256.17070 165.5
[M+NH4]+ 275.21180 180.1
[M+K]+ 296.14114 164.1
[M+H-H2O]+ 240.17524 156.5
[M+HCOO]- 302.17618 181.8
[M+CH3COO]- 316.19183 198.9
[M+Na-2H]- 278.15265 168.7
[M]+ 257.17743 162.4
[M]- 257.17853 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.