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]+ 185.044446 133.5
[M+Na]+ 207.026388 142.0
[M-H]- 183.029894 135.8
[M+NH4]+ 202.070993 146.9
[M+K]+ 223.000328 139.1
[M+H-H2O]+ 167.034430 128.7
[M+HCOO]- 229.035371 152.0
[M+CH3COO]- 243.051021 181.4
[M+Na-2H]- 205.011836 134.1
[M]+ 184.03662142 135.6
[M]- 184.03771858 135.6
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.