CID 46985

Tl-1300

Structural Information

Molecular Formula
C16H25N2O2
SMILES
CC1=C(C=C(C=C1)[N+](C)(C)C)OC(=O)N2CCCCC2
InChI
InChI=1S/C16H25N2O2/c1-13-8-9-14(18(2,3)4)12-15(13)20-16(19)17-10-6-5-7-11-17/h8-9,12H,5-7,10-11H2,1-4H3/q+1
InChIKey
PVJADELIHGHJLA-UHFFFAOYSA-N
Compound name
trimethyl-[4-methyl-3-(piperidine-1-carbonyloxy)phenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1916 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.19888 165.4
[M+Na]+ 300.18082 169.7
[M-H]- 276.18432 171.6
[M+NH4]+ 295.22542 180.4
[M+K]+ 316.15476 162.4
[M+H-H2O]+ 260.18886 160.0
[M+HCOO]- 322.18980 183.6
[M+CH3COO]- 336.20545 197.6
[M+Na-2H]- 298.16627 171.1
[M]+ 277.19105 162.5
[M]- 277.19215 162.5
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.