CID 373309

Nsc649455

Structural Information

Molecular Formula
C11H16O4
SMILES
C=CCCC(CCC=C)(C(=O)O)C(=O)O
InChI
InChI=1S/C11H16O4/c1-3-5-7-11(9(12)13,10(14)15)8-6-4-2/h3-4H,1-2,5-8H2,(H,12,13)(H,14,15)
InChIKey
OSKMJOAZCPSTCT-UHFFFAOYSA-N
Compound name
2,2-bis(but-3-enyl)propanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

212.10486 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11214 148.4
[M+Na]+ 235.09408 153.7
[M-H]- 211.09758 145.4
[M+NH4]+ 230.13868 165.4
[M+K]+ 251.06802 151.2
[M+H-H2O]+ 195.10212 144.0
[M+HCOO]- 257.10306 165.7
[M+CH3COO]- 271.11871 183.4
[M+Na-2H]- 233.07953 150.3
[M]+ 212.10431 148.9
[M]- 212.10541 148.9
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.