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 169.3
[M+Na]+ 318.12312 174.5
[M-H]- 294.12662 173.3
[M+NH4]+ 313.16772 183.9
[M+K]+ 334.09706 169.9
[M+H-H2O]+ 278.13116 161.3
[M+HCOO]- 340.13210 182.4
[M+CH3COO]- 354.14775 201.0
[M+Na-2H]- 316.10857 170.2
[M]+ 295.13335 169.6
[M]- 295.13445 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.