CID 30879

63916-71-2

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]+ 296.14118 168.8
[M+Na]+ 318.12312 181.7
[M+NH4]+ 313.16772 176.9
[M+K]+ 334.09706 173.6
[M-H]- 294.12662 172.1
[M+Na-2H]- 316.10857 175.2
[M]+ 295.13335 171.8
[M]- 295.13445 171.8
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.