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]+ 251.12779 158.6
[M+Na]+ 273.10973 159.1
[M-H]- 249.11323 151.9
[M+NH4]+ 268.15433 181.2
[M+K]+ 289.08367 156.9
[M+H-H2O]+ 233.11777 153.6
[M+HCOO]- 295.11871 161.7
[M+CH3COO]- 309.13436 199.8
[M+Na-2H]- 271.09518 165.9
[M]+ 250.11996 158.8
[M]- 250.12106 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.