CID 45976

Tl-1416

Structural Information

Molecular Formula
C16H25N2O2
SMILES
CNC(=O)OC1=CC(=C(C=C1)[N+](C)(C)C)C2CCCC2
InChI
InChI=1S/C16H24N2O2/c1-17-16(19)20-13-9-10-15(18(2,3)4)14(11-13)12-7-5-6-8-12/h9-12H,5-8H2,1-4H3/p+1
InChIKey
BRFBLSVAAULPBO-UHFFFAOYSA-O
Compound name
[2-cyclopentyl-4-(methylcarbamoyloxy)phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1916 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.19888 164.7
[M+Na]+ 300.18082 175.7
[M+NH4]+ 295.22542 173.5
[M+K]+ 316.15476 172.5
[M-H]- 276.18432 170.3
[M+Na-2H]- 298.16627 171.6
[M]+ 277.19105 168.0
[M]- 277.19215 168.0
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.