CID 21149689

3-pyrrolidinol, 2-methyl-3-phenyl-, propionate (ester)

Structural Information

Molecular Formula
C14H19NO2
SMILES
CCC(=O)OC1(CCNC1C)C2=CC=CC=C2
InChI
InChI=1S/C14H19NO2/c1-3-13(16)17-14(9-10-15-11(14)2)12-7-5-4-6-8-12/h4-8,11,15H,3,9-10H2,1-2H3
InChIKey
BLRDJWDKGIIOSB-UHFFFAOYSA-N
Compound name
(2-methyl-3-phenylpyrrolidin-3-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

233.14159 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.148866 155.1
[M+Na]+ 256.130808 161.0
[M-H]- 232.134314 158.7
[M+NH4]+ 251.175413 174.4
[M+K]+ 272.104748 157.9
[M+H-H2O]+ 216.138850 148.3
[M+HCOO]- 278.139791 174.3
[M+CH3COO]- 292.155441 186.7
[M+Na-2H]- 254.116256 157.4
[M]+ 233.14104142 152.9
[M]- 233.14213858 152.9
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

patents stripe