CID 112802

1-oxaspiro[4.7]dodecane

Structural Information

Molecular Formula
C11H20O
SMILES
C1CCCC2(CCC1)CCCO2
InChI
InChI=1S/C11H20O/c1-2-4-7-11(8-5-3-1)9-6-10-12-11/h1-10H2
InChIKey
LDUJSEBWLVYVGC-UHFFFAOYSA-N
Compound name
1-oxaspiro[4.7]dodecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

168.15141 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.158686 154.3
[M+Na]+ 191.140628 157.6
[M-H]- 167.144134 156.7
[M+NH4]+ 186.185233 164.4
[M+K]+ 207.114568 158.3
[M+H-H2O]+ 151.148670 150.7
[M+HCOO]- 213.149611 162.1
[M+CH3COO]- 227.165261 158.8
[M+Na-2H]- 189.126076 154.1
[M]+ 168.15086142 151.0
[M]- 168.15195858 151.0
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