CID 21149921

Brn 1384514

Structural Information

Molecular Formula
C16H23NO2
SMILES
CC1C(CCN1C)(C2=CC=CC=C2)OC(=O)C(C)C
InChI
InChI=1S/C16H23NO2/c1-12(2)15(18)19-16(10-11-17(4)13(16)3)14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3
InChIKey
PNEKCZNQOVAYFM-UHFFFAOYSA-N
Compound name
(1,2-dimethyl-3-phenylpyrrolidin-3-yl) 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 162.3
[M+Na]+ 284.16210 168.5
[M-H]- 260.16560 167.6
[M+NH4]+ 279.20670 181.6
[M+K]+ 300.13604 166.4
[M+H-H2O]+ 244.17014 155.6
[M+HCOO]- 306.17108 181.4
[M+CH3COO]- 320.18673 197.3
[M+Na-2H]- 282.14755 162.3
[M]+ 261.17233 162.6
[M]- 261.17343 162.6
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.