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]+ 244.133206 155.3
[M+Na]+ 266.115148 161.7
[M-H]- 242.118654 159.4
[M+NH4]+ 261.159753 173.6
[M+K]+ 282.089088 158.5
[M+H-H2O]+ 226.123190 148.2
[M+HCOO]- 288.124131 178.5
[M+CH3COO]- 302.139781 195.6
[M+Na-2H]- 264.100596 162.0
[M]+ 243.12538142 157.1
[M]- 243.12647858 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

literature stripe

Patent stripe

patents stripe