CID 45970

Tl-1414

Structural Information

Molecular Formula
C18H29N2O2
SMILES
CC(C)C1=C(C=CC(=C1)OC(=O)N2CCCCC2)[N+](C)(C)C
InChI
InChI=1S/C18H29N2O2/c1-14(2)16-13-15(9-10-17(16)20(3,4)5)22-18(21)19-11-7-6-8-12-19/h9-10,13-14H,6-8,11-12H2,1-5H3/q+1
InChIKey
FLKURXUIFMVFGO-UHFFFAOYSA-N
Compound name
trimethyl-[4-(piperidine-1-carbonyloxy)-2-propan-2-ylphenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.2229 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.23018 172.6
[M+Na]+ 328.21212 185.1
[M+NH4]+ 323.25672 181.0
[M+K]+ 344.18606 180.0
[M-H]- 304.21562 177.7
[M+Na-2H]- 326.19757 179.6
[M]+ 305.22235 176.1
[M]- 305.22345 176.1
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.