CID 25200911

2-keto-4,5-cyclopropylhex-5-enoate

Structural Information

Molecular Formula
C6H6O3
SMILES
C=C1CC1C(=O)C(=O)O
InChI
InChI=1S/C6H6O3/c1-3-2-4(3)5(7)6(8)9/h4H,1-2H2,(H,8,9)
InChIKey
IZYQYTLECIJWMX-UHFFFAOYSA-N
Compound name
2-(2-methylidenecyclopropyl)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

126.03169 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.038966 122.0
[M+Na]+ 149.020908 132.1
[M-H]- 125.024414 126.0
[M+NH4]+ 144.065513 138.7
[M+K]+ 164.994848 129.6
[M+H-H2O]+ 109.028950 117.2
[M+HCOO]- 171.029891 143.9
[M+CH3COO]- 185.045541 172.9
[M+Na-2H]- 147.006356 126.3
[M]+ 126.03114142 124.1
[M]- 126.03223858 124.1
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