CID 46012

Sb-20

Structural Information

Molecular Formula
C16H27N2O2
SMILES
CC(C)(C)C1=CC(=C(C=C1)OC(=O)N(C)C)[N+](C)(C)C
InChI
InChI=1S/C16H27N2O2/c1-16(2,3)12-9-10-14(20-15(19)17(4)5)13(11-12)18(6,7)8/h9-11H,1-8H3/q+1
InChIKey
MJJBEZLEVRCDEC-UHFFFAOYSA-N
Compound name
[5-tert-butyl-2-(dimethylcarbamoyloxy)phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

279.20724 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.214516 163.5
[M+Na]+ 302.196458 169.6
[M-H]- 278.199964 170.4
[M+NH4]+ 297.241063 181.1
[M+K]+ 318.170398 164.6
[M+H-H2O]+ 262.204500 160.2
[M+HCOO]- 324.205441 185.9
[M+CH3COO]- 338.221091 206.3
[M+Na-2H]- 300.181906 170.5
[M]+ 279.20669142 166.9
[M]- 279.20778858 166.9
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.