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

31
Patents

168.11504 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 135.6
[M+Na]+ 191.104258 138.7
[M-H]- 167.107764 130.9
[M+NH4]+ 186.148863 161.2
[M+K]+ 207.078198 137.2
[M+H-H2O]+ 151.112300 130.2
[M+HCOO]- 213.113241 141.9
[M+CH3COO]- 227.128891 145.4
[M+Na-2H]- 189.089706 148.6
[M]+ 168.11449142 136.1
[M]- 168.11558858 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