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]+ 250.18016 161.1
[M+Na]+ 272.16210 166.4
[M-H]- 248.16560 164.5
[M+NH4]+ 267.20670 178.4
[M+K]+ 288.13604 165.0
[M+H-H2O]+ 232.17014 154.9
[M+HCOO]- 294.17108 181.8
[M+CH3COO]- 308.18673 198.6
[M+Na-2H]- 270.14755 164.0
[M]+ 249.17233 163.0
[M]- 249.17343 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.