CID 115713

64038-90-0

Structural Information

Molecular Formula
C23H45NO2
SMILES
CCCCCCCCCCCCCC(=O)OCCCN1CCCCC1C
InChI
InChI=1S/C23H45NO2/c1-3-4-5-6-7-8-9-10-11-12-13-18-23(25)26-21-16-20-24-19-15-14-17-22(24)2/h22H,3-21H2,1-2H3
InChIKey
VRNDXFKUQLCBRG-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.34503 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.35231 201.8
[M+Na]+ 390.33425 201.0
[M-H]- 366.33775 200.4
[M+NH4]+ 385.37885 212.7
[M+K]+ 406.30819 197.1
[M+H-H2O]+ 350.34229 192.5
[M+HCOO]- 412.34323 215.5
[M+CH3COO]- 426.35888 221.4
[M+Na-2H]- 388.31970 197.6
[M]+ 367.34448 204.9
[M]- 367.34558 204.9
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.