CID 3048599

63916-38-1

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CCCCN1CCC(CC1)(CC2=CC=CC=N2)OC(=O)C
InChI
InChI=1S/C17H26N2O2/c1-3-4-11-19-12-8-17(9-13-19,21-15(2)20)14-16-7-5-6-10-18-16/h5-7,10H,3-4,8-9,11-14H2,1-2H3
InChIKey
HNJOZMCNKREYPB-UHFFFAOYSA-N
Compound name
[1-butyl-4-(pyridin-2-ylmethyl)piperidin-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.19943 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.20671 172.1
[M+Na]+ 313.18865 176.1
[M-H]- 289.19215 174.5
[M+NH4]+ 308.23325 186.3
[M+K]+ 329.16259 173.2
[M+H-H2O]+ 273.19669 162.7
[M+HCOO]- 335.19763 188.1
[M+CH3COO]- 349.21328 201.4
[M+Na-2H]- 311.17410 174.7
[M]+ 290.19888 171.0
[M]- 290.19998 171.0
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.