CID 71440370

75834-57-0

Structural Information

Molecular Formula
C15H19NO3
SMILES
CC(C)(C)OC(=O)NC1CCC2=CC=CC=C2C1=O
InChI
InChI=1S/C15H19NO3/c1-15(2,3)19-14(18)16-12-9-8-10-6-4-5-7-11(10)13(12)17/h4-7,12H,8-9H2,1-3H3,(H,16,18)
InChIKey
QBCDMMFVLRSWMP-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1365 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.143776 159.4
[M+Na]+ 284.125718 165.3
[M-H]- 260.129224 163.5
[M+NH4]+ 279.170323 177.1
[M+K]+ 300.099658 163.1
[M+H-H2O]+ 244.133760 153.3
[M+HCOO]- 306.134701 178.4
[M+CH3COO]- 320.150351 198.5
[M+Na-2H]- 282.111166 164.5
[M]+ 261.13595142 159.0
[M]- 261.13704858 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.