CID 14344

5,6,7,8-tetrahydro-1-naphthyl methylcarbamate

Structural Information

Molecular Formula
C12H15NO2
SMILES
CNC(=O)OC1=CC=CC2=C1CCCC2
InChI
InChI=1S/C12H15NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h4,6,8H,2-3,5,7H2,1H3,(H,13,14)
InChIKey
FDHRBCMXYSGNPA-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydronaphthalen-1-yl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

37
Patents

205.11028 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.117556 143.9
[M+Na]+ 228.099498 149.5
[M-H]- 204.103004 147.8
[M+NH4]+ 223.144103 163.5
[M+K]+ 244.073438 147.4
[M+H-H2O]+ 188.107540 137.4
[M+HCOO]- 250.108481 165.1
[M+CH3COO]- 264.124131 187.2
[M+Na-2H]- 226.084946 150.2
[M]+ 205.10973142 141.8
[M]- 205.11082858 141.8
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

patents stripe