CID 3048634

63916-72-3

Structural Information

Molecular Formula
C22H33NO2
SMILES
CC1CCCCN1CCCOC(=O)C2=CC=C(C=C2)C3CCCCC3
InChI
InChI=1S/C22H33NO2/c1-18-8-5-6-15-23(18)16-7-17-25-22(24)21-13-11-20(12-14-21)19-9-3-2-4-10-19/h11-14,18-19H,2-10,15-17H2,1H3
InChIKey
HVZBLYFIPJDENZ-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl 4-cyclohexylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

343.25113 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.25841 188.0
[M+Na]+ 366.24035 187.8
[M-H]- 342.24385 193.4
[M+NH4]+ 361.28495 198.7
[M+K]+ 382.21429 183.5
[M+H-H2O]+ 326.24839 177.3
[M+HCOO]- 388.24933 200.5
[M+CH3COO]- 402.26498 212.3
[M+Na-2H]- 364.22580 185.4
[M]+ 343.25058 181.1
[M]- 343.25168 181.1
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

patents stripe