CID 24845422

1-pyrrolidinecarboxylic acid, 3-phenylpropyl ester

Structural Information

Molecular Formula
C14H19NO2
SMILES
C1CCN(C1)C(=O)OCCCC2=CC=CC=C2
InChI
InChI=1S/C14H19NO2/c16-14(15-10-4-5-11-15)17-12-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2
InChIKey
DXDMOTGFUITXKZ-UHFFFAOYSA-N
Compound name
3-phenylpropyl pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

233.14159 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.148866 155.7
[M+Na]+ 256.130808 160.1
[M-H]- 232.134314 159.9
[M+NH4]+ 251.175413 173.4
[M+K]+ 272.104748 157.7
[M+H-H2O]+ 216.138850 147.6
[M+HCOO]- 278.139791 176.3
[M+CH3COO]- 292.155441 188.0
[M+Na-2H]- 254.116256 157.8
[M]+ 233.14104142 154.5
[M]- 233.14213858 154.5
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

patents stripe