CID 510637

Bdbm50174498

Structural Information

Molecular Formula
C14H18O4
SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C14H18O4/c15-11(13(17)18)4-12(16)14-5-8-1-9(6-14)3-10(2-8)7-14/h8-10H,1-7H2,(H,17,18)
InChIKey
RUKAPNPDMKELFU-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.12051 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.127786 158.6
[M+Na]+ 273.109728 159.1
[M-H]- 249.113234 151.9
[M+NH4]+ 268.154333 181.2
[M+K]+ 289.083668 156.9
[M+H-H2O]+ 233.117770 153.6
[M+HCOO]- 295.118711 161.7
[M+CH3COO]- 309.134361 199.8
[M+Na-2H]- 271.095176 165.9
[M]+ 250.11996142 158.8
[M]- 250.12105858 158.8
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.