CID 47000

64050-30-2

Structural Information

Molecular Formula
C17H25NO2
SMILES
CC1CCCCN1CCCCOC(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H25NO2/c1-15-9-5-6-12-18(15)13-7-8-14-20-17(19)16-10-3-2-4-11-16/h2-4,10-11,15H,5-9,12-14H2,1H3
InChIKey
UFMAXJGHHZKXIO-UHFFFAOYSA-N
Compound name
4-(2-methylpiperidin-1-yl)butyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19582 168.1
[M+Na]+ 298.17776 171.2
[M-H]- 274.18126 171.7
[M+NH4]+ 293.22236 182.3
[M+K]+ 314.15170 168.0
[M+H-H2O]+ 258.18580 159.1
[M+HCOO]- 320.18674 185.4
[M+CH3COO]- 334.20239 199.2
[M+Na-2H]- 296.16321 169.6
[M]+ 275.18799 166.2
[M]- 275.18909 166.2
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.