CID 30879

3-(2-methylpiperidin-1-yl)propyl 4-chlorobenzoate

Structural Information

Molecular Formula
C16H22ClNO2
SMILES
CC1CCCCN1CCCOC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H22ClNO2/c1-13-5-2-3-10-18(13)11-4-12-20-16(19)14-6-8-15(17)9-7-14/h6-9,13H,2-5,10-12H2,1H3
InChIKey
QPKUCZZRNHHWCJ-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1339 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.141176 169.3
[M+Na]+ 318.123118 174.5
[M-H]- 294.126624 173.3
[M+NH4]+ 313.167723 183.9
[M+K]+ 334.097058 169.9
[M+H-H2O]+ 278.131160 161.3
[M+HCOO]- 340.132101 182.4
[M+CH3COO]- 354.147751 201.0
[M+Na-2H]- 316.108566 170.2
[M]+ 295.13335142 169.6
[M]- 295.13444858 169.6
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.