CID 6434770

63938-15-8

Structural Information

Molecular Formula
C18H25NO2
SMILES
CC1CCCCN1CCCOC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C18H25NO2/c1-16-8-5-6-13-19(16)14-7-15-21-18(20)12-11-17-9-3-2-4-10-17/h2-4,9-12,16H,5-8,13-15H2,1H3/b12-11+
InChIKey
SEBFSSWJENDFFN-VAWYXSNFSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.18854 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.19582 171.6
[M+Na]+ 310.17776 174.6
[M-H]- 286.18126 175.1
[M+NH4]+ 305.22236 185.3
[M+K]+ 326.15170 170.6
[M+H-H2O]+ 270.18580 162.5
[M+HCOO]- 332.18674 188.8
[M+CH3COO]- 346.20239 200.7
[M+Na-2H]- 308.16321 172.6
[M]+ 287.18799 169.3
[M]- 287.18909 169.3
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.