CID 45245

63916-83-6

Structural Information

Molecular Formula
C22H35NO3
SMILES
CCCCCCOC1=CC=C(C=C1)C(=O)OCCCN2CCCCC2C
InChI
InChI=1S/C22H35NO3/c1-3-4-5-8-17-25-21-13-11-20(12-14-21)22(24)26-18-9-16-23-15-7-6-10-19(23)2/h11-14,19H,3-10,15-18H2,1-2H3
InChIKey
QAQQSUVDOHQMHB-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl 4-hexoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.2617 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.26898 193.3
[M+Na]+ 384.25092 194.9
[M-H]- 360.25442 196.2
[M+NH4]+ 379.29552 204.1
[M+K]+ 400.22486 191.2
[M+H-H2O]+ 344.25896 183.3
[M+HCOO]- 406.25990 209.0
[M+CH3COO]- 420.27555 217.2
[M+Na-2H]- 382.23637 191.4
[M]+ 361.26115 195.0
[M]- 361.26225 195.0
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.