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]+ 304.227096 176.1
[M+Na]+ 326.209038 181.2
[M-H]- 302.212544 180.6
[M+NH4]+ 321.253643 193.6
[M+K]+ 342.182978 177.8
[M+H-H2O]+ 286.217080 168.4
[M+HCOO]- 348.218021 195.1
[M+CH3COO]- 362.233671 205.3
[M+Na-2H]- 324.194486 175.6
[M]+ 303.21927142 177.9
[M]- 303.22036858 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.