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 159.4
[M+Na]+ 284.12572 165.3
[M-H]- 260.12922 163.5
[M+NH4]+ 279.17032 177.1
[M+K]+ 300.09966 163.1
[M+H-H2O]+ 244.13376 153.3
[M+HCOO]- 306.13470 178.4
[M+CH3COO]- 320.15035 198.5
[M+Na-2H]- 282.11117 164.5
[M]+ 261.13595 159.0
[M]- 261.13705 159.0
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.