CID 20164847

102090-34-6

Structural Information

Molecular Formula
C17H21NO3
SMILES
CC(C)(C)OC(=O)NCC(C1=CC2=CC=CC=C2C=C1)O
InChI
InChI=1S/C17H21NO3/c1-17(2,3)21-16(20)18-11-15(19)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,15,19H,11H2,1-3H3,(H,18,20)
InChIKey
WCGMORNUMWJZGG-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-hydroxy-2-naphthalen-2-ylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

287.15213 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.159406 168.3
[M+Na]+ 310.141348 173.4
[M-H]- 286.144854 171.0
[M+NH4]+ 305.185953 184.1
[M+K]+ 326.115288 170.7
[M+H-H2O]+ 270.149390 161.8
[M+HCOO]- 332.150331 186.8
[M+CH3COO]- 346.165981 201.8
[M+Na-2H]- 308.126796 173.2
[M]+ 287.15158142 169.3
[M]- 287.15267858 169.3
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