CID 4230695

25216-28-8

Structural Information

Molecular Formula
C15H17NO2
SMILES
CCCCOC(=O)NC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C15H17NO2/c1-2-3-11-18-15(17)16-14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,2-3,11H2,1H3,(H,16,17)
InChIKey
ZCYZDPCLNIQOKH-UHFFFAOYSA-N
Compound name
butyl N-naphthalen-1-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

243.12593 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13321 155.3
[M+Na]+ 266.11515 161.7
[M-H]- 242.11865 159.4
[M+NH4]+ 261.15975 173.6
[M+K]+ 282.08909 158.5
[M+H-H2O]+ 226.12319 148.2
[M+HCOO]- 288.12413 178.5
[M+CH3COO]- 302.13978 195.6
[M+Na-2H]- 264.10060 162.0
[M]+ 243.12538 157.1
[M]- 243.12648 157.1
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.