CID 170915279

2-cyclopropyl-3-oxocyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C8H10O3
SMILES
C1CC1C2C(CC2=O)C(=O)O
InChI
InChI=1S/C8H10O3/c9-6-3-5(8(10)11)7(6)4-1-2-4/h4-5,7H,1-3H2,(H,10,11)
InChIKey
YZCPGTDXICIKFY-UHFFFAOYSA-N
Compound name
2-cyclopropyl-3-oxocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.06299 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 126.9
[M+Na]+ 177.05221 134.9
[M-H]- 153.05571 133.4
[M+NH4]+ 172.09681 136.5
[M+K]+ 193.02615 135.5
[M+H-H2O]+ 137.06025 116.8
[M+HCOO]- 199.06119 147.2
[M+CH3COO]- 213.07684 181.4
[M+Na-2H]- 175.03766 130.5
[M]+ 154.06244 136.6
[M]- 154.06354 136.6
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.