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 133.5
[M+Na]+ 207.02639 142.0
[M-H]- 183.02989 135.8
[M+NH4]+ 202.07099 146.9
[M+K]+ 223.00033 139.1
[M+H-H2O]+ 167.03443 128.7
[M+HCOO]- 229.03537 152.0
[M+CH3COO]- 243.05102 181.4
[M+Na-2H]- 205.01184 134.1
[M]+ 184.03662 135.6
[M]- 184.03772 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.