CID 25201790

2-oxo-3-carboxy-4,5-cyclopropylhex-5-enoate

Structural Information

Molecular Formula
C8H8O5
SMILES
C=C1CC1C(C(=O)C(=O)O)C(=O)O
InChI
InChI=1S/C8H8O5/c1-3-2-4(3)5(7(10)11)6(9)8(12)13/h4-5H,1-2H2,(H,10,11)(H,12,13)
InChIKey
CZHVVOQJNLDEEU-UHFFFAOYSA-N
Compound name
2-(2-methylidenecyclopropyl)-3-oxobutanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

184.03717 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04445 138.9
[M+Na]+ 207.02639 147.6
[M+NH4]+ 202.07099 144.1
[M+K]+ 223.00033 147.9
[M-H]- 183.02989 142.6
[M+Na-2H]- 205.01184 142.0
[M]+ 184.03662 141.7
[M]- 184.03772 141.7
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.