CID 5932723

2-allyl-2-(1-butenyl)malonic acid

Structural Information

Molecular Formula
C10H14O4
SMILES
CC/C=C/C(CC=C)(C(=O)O)C(=O)O
InChI
InChI=1S/C10H14O4/c1-3-5-7-10(6-4-2,8(11)12)9(13)14/h4-5,7H,2-3,6H2,1H3,(H,11,12)(H,13,14)/b7-5+
InChIKey
CPVNSIXHGLVYQN-FNORWQNLSA-N
Compound name
2-[(E)-but-1-enyl]-2-prop-2-enylpropanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

198.0892 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09648 144.0
[M+Na]+ 221.07842 149.8
[M-H]- 197.08192 141.2
[M+NH4]+ 216.12302 161.7
[M+K]+ 237.05236 147.6
[M+H-H2O]+ 181.08646 139.9
[M+HCOO]- 243.08740 161.7
[M+CH3COO]- 257.10305 179.6
[M+Na-2H]- 219.06387 146.4
[M]+ 198.08865 144.1
[M]- 198.08975 144.1
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.