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 169.9
[M+Na]+ 310.14135 174.8
[M-H]- 286.14485 174.1
[M+NH4]+ 305.18595 187.7
[M+K]+ 326.11529 170.6
[M+H-H2O]+ 270.14939 162.9
[M+HCOO]- 332.15033 187.5
[M+CH3COO]- 346.16598 196.2
[M+Na-2H]- 308.12680 168.1
[M]+ 287.15158 167.6
[M]- 287.15268 167.6
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.