CID 132353950

1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxylic acid

Structural Information

Molecular Formula
C10H10N2O2
SMILES
C1CCN2C(=C(C=C2C(=O)O)C#N)C1
InChI
InChI=1S/C10H10N2O2/c11-6-7-5-9(10(13)14)12-4-2-1-3-8(7)12/h5H,1-4H2,(H,13,14)
InChIKey
BCFNCCJWZCAOED-UHFFFAOYSA-N
Compound name
1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.07423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.081506 141.4
[M+Na]+ 213.063448 151.4
[M-H]- 189.066954 142.6
[M+NH4]+ 208.108053 159.7
[M+K]+ 229.037388 146.7
[M+H-H2O]+ 173.071490 128.9
[M+HCOO]- 235.072431 157.0
[M+CH3COO]- 249.088081 192.4
[M+Na-2H]- 211.048896 144.5
[M]+ 190.07368142 134.3
[M]- 190.07477858 134.3
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.