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 165.0
[M+Na]+ 300.18082 169.3
[M-H]- 276.18432 172.9
[M+NH4]+ 295.22542 182.9
[M+K]+ 316.15476 162.0
[M+H-H2O]+ 260.18886 160.7
[M+HCOO]- 322.18980 187.7
[M+CH3COO]- 336.20545 199.3
[M+Na-2H]- 298.16627 169.9
[M]+ 277.19105 163.0
[M]- 277.19215 163.0
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.