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]+ 250.18016 162.4
[M+Na]+ 272.16210 166.1
[M-H]- 248.16560 166.6
[M+NH4]+ 267.20670 179.8
[M+K]+ 288.13604 166.1
[M+H-H2O]+ 232.17014 155.1
[M+HCOO]- 294.17108 184.2
[M+CH3COO]- 308.18673 202.2
[M+Na-2H]- 270.14755 163.1
[M]+ 249.17233 165.1
[M]- 249.17343 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.