CID 3053131

69552-17-6

Structural Information

Molecular Formula
C19H29NO2
SMILES
CCCCCN1CCC(C1C)(C2=CC=CC=C2)OC(=O)CC
InChI
InChI=1S/C19H29NO2/c1-4-6-10-14-20-15-13-19(16(20)3,22-18(21)5-2)17-11-8-7-9-12-17/h7-9,11-12,16H,4-6,10,13-15H2,1-3H3
InChIKey
IIOBWCRYJATMQQ-UHFFFAOYSA-N
Compound name
(2-methyl-1-pentyl-3-phenylpyrrolidin-3-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.21982 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.22710 176.1
[M+Na]+ 326.20904 181.2
[M-H]- 302.21254 180.6
[M+NH4]+ 321.25364 193.6
[M+K]+ 342.18298 177.8
[M+H-H2O]+ 286.21708 168.4
[M+HCOO]- 348.21802 195.1
[M+CH3COO]- 362.23367 205.3
[M+Na-2H]- 324.19449 175.6
[M]+ 303.21927 177.9
[M]- 303.22037 177.9
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

No patent data available for this compound.