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

0
Patents

293.2229 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.23018 171.1
[M+Na]+ 316.21212 176.3
[M-H]- 292.21562 177.4
[M+NH4]+ 311.25672 187.9
[M+K]+ 332.18606 170.3
[M+H-H2O]+ 276.22016 166.7
[M+HCOO]- 338.22110 194.7
[M+CH3COO]- 352.23675 209.6
[M+Na-2H]- 314.19757 176.2
[M]+ 293.22235 175.5
[M]- 293.22345 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.