CID 64178

18484-32-7

Structural Information

Molecular Formula
C16H24O4
SMILES
CC(C12CC3CC(C1)CC(C3)C2)OC(=O)CCC(=O)O
InChI
InChI=1S/C16H24O4/c1-10(20-15(19)3-2-14(17)18)16-7-11-4-12(8-16)6-13(5-11)9-16/h10-13H,2-9H2,1H3,(H,17,18)
InChIKey
HCTVUXYVRWXMGI-UHFFFAOYSA-N
Compound name
4-[1-(1-adamantyl)ethoxy]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.16745 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.174726 169.6
[M+Na]+ 303.156668 169.0
[M-H]- 279.160174 162.5
[M+NH4]+ 298.201273 191.1
[M+K]+ 319.130608 167.0
[M+H-H2O]+ 263.164710 164.2
[M+HCOO]- 325.165651 171.8
[M+CH3COO]- 339.181301 205.6
[M+Na-2H]- 301.142116 175.7
[M]+ 280.16690142 170.9
[M]- 280.16799858 170.9
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.