CID 42937511

1000930-76-6

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CC1=CC(=C(N1C2CN3CCC2CC3)C)C(=O)O
InChI
InChI=1S/C14H20N2O2/c1-9-7-12(14(17)18)10(2)16(9)13-8-15-5-3-11(13)4-6-15/h7,11,13H,3-6,8H2,1-2H3,(H,17,18)
InChIKey
KAHMWPLCHVMYEH-UHFFFAOYSA-N
Compound name
1-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylpyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15248 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 153.7
[M+Na]+ 271.14170 163.6
[M+NH4]+ 266.18630 162.9
[M+K]+ 287.11564 159.5
[M-H]- 247.14520 151.7
[M+Na-2H]- 269.12715 150.9
[M]+ 248.15193 154.3
[M]- 248.15303 154.3
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.