CID 45254

63916-92-7

Structural Information

Molecular Formula
C19H29NO3
SMILES
CC1CCCCN1CCCOC(=O)C2=CC=C(C=C2)OC(C)C
InChI
InChI=1S/C19H29NO3/c1-15(2)23-18-10-8-17(9-11-18)19(21)22-14-6-13-20-12-5-4-7-16(20)3/h8-11,15-16H,4-7,12-14H2,1-3H3
InChIKey
KCGKUMMLOWMRHO-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl 4-propan-2-yloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.21475 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.22203 179.7
[M+Na]+ 342.20397 182.5
[M-H]- 318.20747 183.4
[M+NH4]+ 337.24857 192.3
[M+K]+ 358.17791 180.0
[M+H-H2O]+ 302.21201 170.6
[M+HCOO]- 364.21295 195.6
[M+CH3COO]- 378.22860 209.2
[M+Na-2H]- 340.18942 178.4
[M]+ 319.21420 179.8
[M]- 319.21530 179.8
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.