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

53
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 127.5
[M+Na]+ 205.08352 131.9
[M+NH4]+ 200.12812 135.7
[M+K]+ 221.05746 129.9
[M-H]- 181.08702 125.4
[M+Na-2H]- 203.06897 125.8
[M]+ 182.09375 127.5
[M]- 182.09485 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe