CID 47272

Sb-22

Structural Information

Molecular Formula
C17H29N2O2
SMILES
CCCCCC1=CC(=C(C=C1)OC(=O)N(C)C)[N+](C)(C)C
InChI
InChI=1S/C17H29N2O2/c1-7-8-9-10-14-11-12-16(21-17(20)18(2)3)15(13-14)19(4,5)6/h11-13H,7-10H2,1-6H3/q+1
InChIKey
OWWHKKGHQGEJGW-UHFFFAOYSA-N
Compound name
[2-(dimethylcarbamoyloxy)-5-pentylphenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

293.2229 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.230176 171.1
[M+Na]+ 316.212118 176.3
[M-H]- 292.215624 177.4
[M+NH4]+ 311.256723 187.9
[M+K]+ 332.186058 170.3
[M+H-H2O]+ 276.220160 166.7
[M+HCOO]- 338.221101 194.7
[M+CH3COO]- 352.236751 209.6
[M+Na-2H]- 314.197566 176.2
[M]+ 293.22235142 175.5
[M]- 293.22344858 175.5
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.