CID 12443412

2,3,5,6,7,8-hexahydro-1h-pyrrolizin-1-ylmethyl (e)-3-(4-hydroxyphenyl)prop-2-enoate

Structural Information

Molecular Formula
C17H21NO3
SMILES
C1CC2C(CCN2C1)COC(=O)/C=C/C3=CC=C(C=C3)O
InChI
InChI=1S/C17H21NO3/c19-15-6-3-13(4-7-15)5-8-17(20)21-12-14-9-11-18-10-1-2-16(14)18/h3-8,14,16,19H,1-2,9-12H2/b8-5+
InChIKey
FQVNMXZPGWLUFZ-VMPITWQZSA-N
Compound name
2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.15213 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15941 169.8
[M+Na]+ 310.14135 178.5
[M+NH4]+ 305.18595 176.9
[M+K]+ 326.11529 176.0
[M-H]- 286.14485 171.0
[M+Na-2H]- 308.12680 172.2
[M]+ 287.15158 170.9
[M]- 287.15268 170.9
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.