CID 72942381

1313021-93-0

Structural Information

Molecular Formula
C15H19NO3
SMILES
CC(C)(C)OC(=O)NC1CCC(=O)C2=CC=CC=C12
InChI
InChI=1S/C15H19NO3/c1-15(2,3)19-14(18)16-12-8-9-13(17)11-7-5-4-6-10(11)12/h4-7,12H,8-9H2,1-3H3,(H,16,18)
InChIKey
ZVVMFFDPVWHINW-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-oxo-2,3-dihydro-1H-naphthalen-1-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1365 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14378 159.6
[M+Na]+ 284.12572 170.0
[M+NH4]+ 279.17032 167.0
[M+K]+ 300.09966 164.7
[M-H]- 260.12922 161.1
[M+Na-2H]- 282.11117 163.9
[M]+ 261.13595 161.3
[M]- 261.13705 161.3
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.