CID 34244

R 982

Structural Information

Molecular Formula
C17H27NO2
SMILES
CC(C)N(C(C)C)C(=O)OC1=CC=CC(=C1)C(C)(C)C
InChI
InChI=1S/C17H27NO2/c1-12(2)18(13(3)4)16(19)20-15-10-8-9-14(11-15)17(5,6)7/h8-13H,1-7H3
InChIKey
QOBLBOCEULVJIG-UHFFFAOYSA-N
Compound name
(3-tert-butylphenyl) N,N-di(propan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.2042 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.211476 168.4
[M+Na]+ 300.193418 172.9
[M-H]- 276.196924 173.1
[M+NH4]+ 295.238023 185.3
[M+K]+ 316.167358 173.0
[M+H-H2O]+ 260.201460 162.0
[M+HCOO]- 322.202401 188.1
[M+CH3COO]- 336.218051 209.1
[M+Na-2H]- 298.178866 168.5
[M]+ 277.20365142 171.9
[M]- 277.20474858 171.9
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.