CID 165990874

1-cyanospiro[2.2]pentane-1-carboxylic acid

Structural Information

Molecular Formula
C7H7NO2
SMILES
C1CC12CC2(C#N)C(=O)O
InChI
InChI=1S/C7H7NO2/c8-4-7(5(9)10)3-6(7)1-2-6/h1-3H2,(H,9,10)
InChIKey
XHQKQSINJVZARP-UHFFFAOYSA-N
Compound name
2-cyanospiro[2.2]pentane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.04768 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.054956 136.7
[M+Na]+ 160.036898 154.8
[M-H]- 136.040404 145.8
[M+NH4]+ 155.081503 151.8
[M+K]+ 176.010838 148.9
[M+H-H2O]+ 120.044940 133.5
[M+HCOO]- 182.045881 155.0
[M+CH3COO]- 196.061531 195.1
[M+Na-2H]- 158.022346 145.3
[M]+ 137.04713142 139.8
[M]- 137.04822858 139.8
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.