CID 51907

73623-19-5

Structural Information

Molecular Formula
C15H23NO2
SMILES
CC(C)CCN(C1=CC=CC=C1)C(=O)OC(C)C
InChI
InChI=1S/C15H23NO2/c1-12(2)10-11-16(15(17)18-13(3)4)14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3
InChIKey
AVUKCOIYUNTKTK-UHFFFAOYSA-N
Compound name
propan-2-yl N-(3-methylbutyl)-N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.17288 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 162.4
[M+Na]+ 272.162098 166.1
[M-H]- 248.165604 166.6
[M+NH4]+ 267.206703 179.8
[M+K]+ 288.136038 166.1
[M+H-H2O]+ 232.170140 155.1
[M+HCOO]- 294.171081 184.2
[M+CH3COO]- 308.186731 202.2
[M+Na-2H]- 270.147546 163.1
[M]+ 249.17233142 165.1
[M]- 249.17342858 165.1
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.