CID 132351115

Tert-butyl n-(2-formylnaphthalen-1-yl)carbamate

Structural Information

Molecular Formula
C16H17NO3
SMILES
CC(C)(C)OC(=O)NC1=C(C=CC2=CC=CC=C21)C=O
InChI
InChI=1S/C16H17NO3/c1-16(2,3)20-15(19)17-14-12(10-18)9-8-11-6-4-5-7-13(11)14/h4-10H,1-3H3,(H,17,19)
InChIKey
YGHDTHYKHQXALZ-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-formylnaphthalen-1-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.12085 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12813 162.0
[M+Na]+ 294.11007 169.5
[M-H]- 270.11357 166.7
[M+NH4]+ 289.15467 179.5
[M+K]+ 310.08401 166.8
[M+H-H2O]+ 254.11811 155.5
[M+HCOO]- 316.11905 183.6
[M+CH3COO]- 330.13470 200.8
[M+Na-2H]- 292.09552 168.4
[M]+ 271.12030 164.8
[M]- 271.12140 164.8
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

No patent data available for this compound.