CID 45998

Tl-1413

Structural Information

Molecular Formula
C17H27N2O2
SMILES
CCC1=C(C=CC(=C1)OC(=O)N2CCCCC2)[N+](C)(C)C
InChI
InChI=1S/C17H27N2O2/c1-5-14-13-15(9-10-16(14)19(2,3)4)21-17(20)18-11-7-6-8-12-18/h9-10,13H,5-8,11-12H2,1-4H3/q+1
InChIKey
VYJIDNNUQLXVCQ-UHFFFAOYSA-N
Compound name
[2-ethyl-4-(piperidine-1-carbonyloxy)phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.20724 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.21452 170.1
[M+Na]+ 314.19646 174.0
[M-H]- 290.19996 176.0
[M+NH4]+ 309.24106 184.5
[M+K]+ 330.17040 166.4
[M+H-H2O]+ 274.20450 164.4
[M+HCOO]- 336.20544 187.9
[M+CH3COO]- 350.22109 200.6
[M+Na-2H]- 312.18191 175.3
[M]+ 291.20669 167.5
[M]- 291.20779 167.5
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.