CID 65008699

5-cyanospiro[2.3]hexane-5-carboxylic acid

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1CC12CC(C2)(C#N)C(=O)O
InChI
InChI=1S/C8H9NO2/c9-5-8(6(10)11)3-7(4-8)1-2-7/h1-4H2,(H,10,11)
InChIKey
UZUMMLOFCGBJEE-UHFFFAOYSA-N
Compound name
5-cyanospiro[2.3]hexane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

151.06332 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 128.9
[M+Na]+ 174.05254 143.2
[M-H]- 150.05604 136.6
[M+NH4]+ 169.09714 143.0
[M+K]+ 190.02648 141.5
[M+H-H2O]+ 134.06058 118.7
[M+HCOO]- 196.06152 147.1
[M+CH3COO]- 210.07717 191.1
[M+Na-2H]- 172.03799 137.6
[M]+ 151.06277 135.1
[M]- 151.06387 135.1
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