CID 3239817

1-hydroxy-4-oxahomoadamantan-5-one

Structural Information

Molecular Formula
C10H14O3
SMILES
C1C2CC3CC(C2)(CC1C(=O)O3)O
InChI
InChI=1S/C10H14O3/c11-9-7-1-6-2-8(13-9)5-10(12,3-6)4-7/h6-8,12H,1-5H2
InChIKey
IYOCRSOAYQUGEF-UHFFFAOYSA-N
Compound name
1-hydroxy-4-oxatricyclo[4.3.1.13,8]undecan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

38
Patents

182.0943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 146.0
[M+Na]+ 205.08352 154.2
[M-H]- 181.08702 147.0
[M+NH4]+ 200.12812 168.3
[M+K]+ 221.05746 149.8
[M+H-H2O]+ 165.09156 147.6
[M+HCOO]- 227.09250 153.8
[M+CH3COO]- 241.10815 155.9
[M+Na-2H]- 203.06897 157.2
[M]+ 182.09375 145.5
[M]- 182.09485 145.5
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.