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

0
Patents

279.20724 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.21452 163.5
[M+Na]+ 302.19646 169.6
[M-H]- 278.19996 170.4
[M+NH4]+ 297.24106 181.1
[M+K]+ 318.17040 164.6
[M+H-H2O]+ 262.20450 160.2
[M+HCOO]- 324.20544 185.9
[M+CH3COO]- 338.22109 206.3
[M+Na-2H]- 300.18191 170.5
[M]+ 279.20669 166.9
[M]- 279.20779 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.