CID 16787

2282-34-0

Structural Information

Molecular Formula
C13H19NO2
SMILES
CCCC(C)C1=CC(=CC=C1)OC(=O)NC
InChI
InChI=1S/C13H19NO2/c1-4-6-10(2)11-7-5-8-12(9-11)16-13(15)14-3/h5,7-10H,4,6H2,1-3H3,(H,14,15)
InChIKey
LHTOXQCYXYXXEZ-UHFFFAOYSA-N
Compound name
(3-pentan-2-ylphenyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1
References

3639
Patents

221.14159 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 152.4
[M+Na]+ 244.13081 163.1
[M+NH4]+ 239.17541 159.8
[M+K]+ 260.10475 157.2
[M-H]- 220.13431 154.3
[M+Na-2H]- 242.11626 157.8
[M]+ 221.14104 154.3
[M]- 221.14214 154.3
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