CID 67146049

1-cyano-3-methylidenecyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C7H7NO2
SMILES
C=C1CC(C1)(C#N)C(=O)O
InChI
InChI=1S/C7H7NO2/c1-5-2-7(3-5,4-8)6(9)10/h1-3H2,(H,9,10)
InChIKey
WXZWONFQXJKJGZ-UHFFFAOYSA-N
Compound name
1-cyano-3-methylidenecyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

137.04768 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.054956 125.8
[M+Na]+ 160.036898 134.3
[M-H]- 136.040404 128.9
[M+NH4]+ 155.081503 140.8
[M+K]+ 176.010838 136.1
[M+H-H2O]+ 120.044940 111.8
[M+HCOO]- 182.045881 143.0
[M+CH3COO]- 196.061531 186.9
[M+Na-2H]- 158.022346 130.8
[M]+ 137.04713142 127.4
[M]- 137.04822858 127.4
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.