CID 13617743

2-oxatricyclo[3.3.1.13,7]decane-1-methanol

Structural Information

Molecular Formula
C10H16O2
SMILES
C1C2CC3CC1CC(C2)(O3)CO
InChI
InChI=1S/C10H16O2/c11-6-10-4-7-1-8(5-10)3-9(2-7)12-10/h7-9,11H,1-6H2
InChIKey
CXQHXBRNBRPJRY-UHFFFAOYSA-N
Compound name
2-oxatricyclo[3.3.1.13,7]decan-1-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

168.11504 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 135.6
[M+Na]+ 191.10426 138.7
[M-H]- 167.10776 130.9
[M+NH4]+ 186.14886 161.2
[M+K]+ 207.07820 137.2
[M+H-H2O]+ 151.11230 130.2
[M+HCOO]- 213.11324 141.9
[M+CH3COO]- 227.12889 145.4
[M+Na-2H]- 189.08971 148.6
[M]+ 168.11449 136.1
[M]- 168.11559 136.1
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