CID 45257

63916-95-0

Structural Information

Molecular Formula
C17H25NO3
SMILES
CC1CCCCN1CCCOC(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C17H25NO3/c1-14-6-3-4-11-18(14)12-5-13-21-17(19)15-7-9-16(20-2)10-8-15/h7-10,14H,3-6,11-13H2,1-2H3
InChIKey
ADQDRPUFTMYUAP-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.18344 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.19072 170.8
[M+Na]+ 314.17266 174.7
[M-H]- 290.17616 174.8
[M+NH4]+ 309.21726 184.6
[M+K]+ 330.14660 172.2
[M+H-H2O]+ 274.18070 161.9
[M+HCOO]- 336.18164 188.3
[M+CH3COO]- 350.19729 202.4
[M+Na-2H]- 312.15811 171.7
[M]+ 291.18289 170.8
[M]- 291.18399 170.8
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.