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]+ 304.19072 175.6
[M+Na]+ 326.17266 178.4
[M-H]- 302.17616 179.3
[M+NH4]+ 321.21726 192.4
[M+K]+ 342.14660 175.1
[M+H-H2O]+ 286.18070 168.2
[M+HCOO]- 348.18164 191.6
[M+CH3COO]- 362.19729 200.2
[M+Na-2H]- 324.15811 172.8
[M]+ 303.18289 173.4
[M]- 303.18399 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.