CID 110696

5703-15-1

Structural Information

Molecular Formula
C12H20O4
SMILES
CC(C)(C)CC(=C)CC(CC(=O)O)C(=O)O
InChI
InChI=1S/C12H20O4/c1-8(7-12(2,3)4)5-9(11(15)16)6-10(13)14/h9H,1,5-7H2,2-4H3,(H,13,14)(H,15,16)
InChIKey
HGPJAQIBDADAEL-UHFFFAOYSA-N
Compound name
2-(4,4-dimethyl-2-methylidenepentyl)butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.13615 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.143426 153.6
[M+Na]+ 251.125368 157.9
[M-H]- 227.128874 150.6
[M+NH4]+ 246.169973 170.1
[M+K]+ 267.099308 156.9
[M+H-H2O]+ 211.133410 149.4
[M+HCOO]- 273.134351 168.6
[M+CH3COO]- 287.150001 188.5
[M+Na-2H]- 249.110816 152.6
[M]+ 228.13560142 153.9
[M]- 228.13669858 153.9
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.