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]+ 191.08151 141.4
[M+Na]+ 213.06345 151.4
[M-H]- 189.06695 142.6
[M+NH4]+ 208.10805 159.7
[M+K]+ 229.03739 146.7
[M+H-H2O]+ 173.07149 128.9
[M+HCOO]- 235.07243 157.0
[M+CH3COO]- 249.08808 192.4
[M+Na-2H]- 211.04890 144.5
[M]+ 190.07368 134.3
[M]- 190.07478 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.