CID 17481

1-naphthyl dimethylcarbamate

Structural Information

Molecular Formula
C13H13NO2
SMILES
CN(C)C(=O)OC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C13H13NO2/c1-14(2)13(15)16-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3
InChIKey
QNLGINLKNITHFX-UHFFFAOYSA-N
Compound name
naphthalen-1-yl N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

215.09464 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.101916 145.9
[M+Na]+ 238.083858 153.3
[M-H]- 214.087364 152.0
[M+NH4]+ 233.128463 166.0
[M+K]+ 254.057798 152.0
[M+H-H2O]+ 198.091900 139.1
[M+HCOO]- 260.092841 170.3
[M+CH3COO]- 274.108491 193.0
[M+Na-2H]- 236.069306 153.0
[M]+ 215.09409142 148.3
[M]- 215.09518858 148.3
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