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]+ 278.21148 168.4
[M+Na]+ 300.19342 172.9
[M-H]- 276.19692 173.1
[M+NH4]+ 295.23802 185.3
[M+K]+ 316.16736 173.0
[M+H-H2O]+ 260.20146 162.0
[M+HCOO]- 322.20240 188.1
[M+CH3COO]- 336.21805 209.1
[M+Na-2H]- 298.17887 168.5
[M]+ 277.20365 171.9
[M]- 277.20475 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.