CID 3051758

Dtxsid00218067

Structural Information

Molecular Formula
C15H20N2O3
SMILES
C[C@]1(CC[C@@H](C1(C)C)C(=O)NC2=CN=CC=C2)C(=O)O
InChI
InChI=1S/C15H20N2O3/c1-14(2)11(6-7-15(14,3)13(19)20)12(18)17-10-5-4-8-16-9-10/h4-5,8-9,11H,6-7H2,1-3H3,(H,17,18)(H,19,20)/t11-,15+/m1/s1
InChIKey
FXIYXGJXXJPTCT-ABAIWWIYSA-N
Compound name
(1R,3S)-1,2,2-trimethyl-3-(pyridin-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1474 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.15468 163.5
[M+Na]+ 299.13662 172.1
[M+NH4]+ 294.18122 172.2
[M+K]+ 315.11056 166.1
[M-H]- 275.14012 164.7
[M+Na-2H]- 297.12207 170.5
[M]+ 276.14685 165.0
[M]- 276.14795 165.0
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.