CID 3060951

78372-18-6

Structural Information

Molecular Formula
C18H27NO2
SMILES
CCC(C)C(C1=CC=CC=C1)C(=O)OCCN2CCCC2
InChI
InChI=1S/C18H27NO2/c1-3-15(2)17(16-9-5-4-6-10-16)18(20)21-14-13-19-11-7-8-12-19/h4-6,9-10,15,17H,3,7-8,11-14H2,1-2H3
InChIKey
POHSFPQXVVDRAS-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethyl 3-methyl-2-phenylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.2042 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 173.2
[M+Na]+ 312.19342 182.2
[M+NH4]+ 307.23802 180.1
[M+K]+ 328.16736 177.9
[M-H]- 288.19692 175.0
[M+Na-2H]- 310.17887 177.6
[M]+ 289.20365 174.7
[M]- 289.20475 174.7
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.