CID 10061852

15230-34-9

Structural Information

Molecular Formula
C17H23NO2
SMILES
CC(C)(C)NCC(COC1=CC=CC2=CC=CC=C21)O
InChI
InChI=1S/C17H23NO2/c1-17(2,3)18-11-14(19)12-20-16-10-6-8-13-7-4-5-9-15(13)16/h4-10,14,18-19H,11-12H2,1-3H3
InChIKey
NIFKETYTGRVRLT-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-naphthalen-1-yloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

273.17288 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 166.1
[M+Na]+ 296.16210 171.2
[M-H]- 272.16560 168.7
[M+NH4]+ 291.20670 182.6
[M+K]+ 312.13604 167.8
[M+H-H2O]+ 256.17014 159.5
[M+HCOO]- 318.17108 185.2
[M+CH3COO]- 332.18673 200.9
[M+Na-2H]- 294.14755 172.1
[M]+ 273.17233 167.1
[M]- 273.17343 167.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe