CID 3055950

73200-49-4

Structural Information

Molecular Formula
C18H25NO3
SMILES
C1CC2CCN(C2C1)CCOC(=O)C(CO)C3=CC=CC=C3
InChI
InChI=1S/C18H25NO3/c20-13-16(14-5-2-1-3-6-14)18(21)22-12-11-19-10-9-15-7-4-8-17(15)19/h1-3,5-6,15-17,20H,4,7-13H2
InChIKey
JGMIGFQQDKCWGK-UHFFFAOYSA-N
Compound name
2-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)ethyl 3-hydroxy-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.18344 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.190716 175.6
[M+Na]+ 326.172658 178.4
[M-H]- 302.176164 179.3
[M+NH4]+ 321.217263 192.4
[M+K]+ 342.146598 175.1
[M+H-H2O]+ 286.180700 168.2
[M+HCOO]- 348.181641 191.6
[M+CH3COO]- 362.197291 200.2
[M+Na-2H]- 324.158106 172.8
[M]+ 303.18289142 173.4
[M]- 303.18398858 173.4
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.