CID 105514900

Tert-butyl n-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate

Structural Information

Molecular Formula
C15H21NO3
SMILES
CC(C)(C)OC(=O)NC1CCCC2=C1C=CC(=C2)O
InChI
InChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-13-6-4-5-10-9-11(17)7-8-12(10)13/h7-9,13,17H,4-6H2,1-3H3,(H,16,18)
InChIKey
UAPRWXYRMQWPDF-UHFFFAOYSA-N
Compound name
tert-butyl N-(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

263.15213 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.159406 161.1
[M+Na]+ 286.141348 166.3
[M-H]- 262.144854 163.7
[M+NH4]+ 281.185953 178.1
[M+K]+ 302.115288 163.9
[M+H-H2O]+ 246.149390 155.2
[M+HCOO]- 308.150331 178.4
[M+CH3COO]- 322.165981 196.9
[M+Na-2H]- 284.126796 165.7
[M]+ 263.15158142 159.6
[M]- 263.15267858 159.6
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