CID 56935840

2,6r-dimethyl-2e-octen-1,8-dioic acid

Structural Information

Molecular Formula
C10H16O4
SMILES
C[C@H](CC/C=C(\C)/C(=O)O)CC(=O)O
InChI
InChI=1S/C10H16O4/c1-7(6-9(11)12)4-3-5-8(2)10(13)14/h5,7H,3-4,6H2,1-2H3,(H,11,12)(H,13,14)/b8-5+/t7-/m1/s1
InChIKey
KWIQWVWDQRSGSQ-KBUNYLKBSA-N
Compound name
(E,6R)-2,6-dimethyloct-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.10486 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11214 146.6
[M+Na]+ 223.09408 151.3
[M-H]- 199.09758 143.7
[M+NH4]+ 218.13868 164.1
[M+K]+ 239.06802 150.2
[M+H-H2O]+ 183.10212 141.9
[M+HCOO]- 245.10306 163.7
[M+CH3COO]- 259.11871 182.2
[M+Na-2H]- 221.07953 145.6
[M]+ 200.10431 146.6
[M]- 200.10541 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.