CID 21149933

Brn 1431142

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCC(=O)OC1(CCN(C1(C)C)C)C2=CC=CC=C2
InChI
InChI=1S/C16H23NO2/c1-5-14(18)19-16(13-9-7-6-8-10-13)11-12-17(4)15(16,2)3/h6-10H,5,11-12H2,1-4H3
InChIKey
CVVVAKWIJVKBJN-UHFFFAOYSA-N
Compound name
(1,2,2-trimethyl-3-phenylpyrrolidin-3-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 160.4
[M+Na]+ 284.16210 167.9
[M-H]- 260.16560 165.9
[M+NH4]+ 279.20670 181.7
[M+K]+ 300.13604 165.5
[M+H-H2O]+ 244.17014 154.2
[M+HCOO]- 306.17108 180.5
[M+CH3COO]- 320.18673 196.1
[M+Na-2H]- 282.14755 162.9
[M]+ 261.17233 161.6
[M]- 261.17343 161.6
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

patents stripe