CID 365223

1459-95-6

Structural Information

Molecular Formula
C14H20O4
SMILES
COC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)OC
InChI
InChI=1S/C14H20O4/c1-17-11(15)13-4-9-3-10(5-13)7-14(6-9,8-13)12(16)18-2/h9-10H,3-8H2,1-2H3
InChIKey
YXMDGBXGJKYMQL-UHFFFAOYSA-N
Compound name
dimethyl adamantane-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

252.13615 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.14343 160.8
[M+Na]+ 275.12537 163.2
[M-H]- 251.12887 155.9
[M+NH4]+ 270.16997 186.3
[M+K]+ 291.09931 161.5
[M+H-H2O]+ 235.13341 154.9
[M+HCOO]- 297.13435 166.2
[M+CH3COO]- 311.15000 200.4
[M+Na-2H]- 273.11082 170.3
[M]+ 252.13560 164.2
[M]- 252.13670 164.2
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

patents stripe