CID 124542

3-tbkpbc

Structural Information

Molecular Formula
C15H23NO2
SMILES
CCC(C)NC(=O)OC1=CC=CC(=C1)C(C)(C)C
InChI
InChI=1S/C15H23NO2/c1-6-11(2)16-14(17)18-13-9-7-8-12(10-13)15(3,4)5/h7-11H,6H2,1-5H3,(H,16,17)
InChIKey
CLBKYQXZXVDEPG-UHFFFAOYSA-N
Compound name
(3-tert-butylphenyl) N-butan-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

0
Patents

249.17288 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 161.1
[M+Na]+ 272.162098 166.4
[M-H]- 248.165604 164.5
[M+NH4]+ 267.206703 178.4
[M+K]+ 288.136038 165.0
[M+H-H2O]+ 232.170140 154.9
[M+HCOO]- 294.171081 181.8
[M+CH3COO]- 308.186731 198.6
[M+Na-2H]- 270.147546 164.0
[M]+ 249.17233142 163.0
[M]- 249.17342858 163.0
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

No patent data available for this compound.