CID 47033

64050-90-4

Structural Information

Molecular Formula
C16H27N2O2
SMILES
CC1=C(C(=C(C=C1)C(C)C)[N+](C)(C)C)OC(=O)N(C)C
InChI
InChI=1S/C16H27N2O2/c1-11(2)13-10-9-12(3)15(14(13)18(6,7)8)20-16(19)17(4)5/h9-11H,1-8H3/q+1
InChIKey
OVCXNROJFGKAFZ-UHFFFAOYSA-N
Compound name
[2-(dimethylcarbamoyloxy)-3-methyl-6-propan-2-ylphenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

93
Patents

279.20724 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.214516 164.1
[M+Na]+ 302.196458 170.4
[M-H]- 278.199964 171.1
[M+NH4]+ 297.241063 181.8
[M+K]+ 318.170398 165.4
[M+H-H2O]+ 262.204500 160.5
[M+HCOO]- 324.205441 187.1
[M+CH3COO]- 338.221091 208.5
[M+Na-2H]- 300.181906 168.1
[M]+ 279.20669142 167.9
[M]- 279.20778858 167.9
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.