CID 170990538

Pantheric acid d

Structural Information

Molecular Formula
C10H16O4
SMILES
COC(=O)CCCCCC(=C)C(=O)O
InChI
InChI=1S/C10H16O4/c1-8(10(12)13)6-4-3-5-7-9(11)14-2/h1,3-7H2,2H3,(H,12,13)
InChIKey
FCDRMUCICOISTD-UHFFFAOYSA-N
Compound name
8-methoxy-2-methylidene-8-oxooctanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.10486 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11214 145.8
[M+Na]+ 223.09408 151.2
[M-H]- 199.09758 144.3
[M+NH4]+ 218.13868 164.1
[M+K]+ 239.06802 150.5
[M+H-H2O]+ 183.10212 140.8
[M+HCOO]- 245.10306 165.4
[M+CH3COO]- 259.11871 183.7
[M+Na-2H]- 221.07953 146.6
[M]+ 200.10431 148.4
[M]- 200.10541 148.4
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.