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]+ 152.070596 128.9
[M+Na]+ 174.052538 143.2
[M-H]- 150.056044 136.6
[M+NH4]+ 169.097143 143.0
[M+K]+ 190.026478 141.5
[M+H-H2O]+ 134.060580 118.7
[M+HCOO]- 196.061521 147.1
[M+CH3COO]- 210.077171 191.1
[M+Na-2H]- 172.037986 137.6
[M]+ 151.06277142 135.1
[M]- 151.06386858 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