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]+ 169.15869 154.3
[M+Na]+ 191.14063 157.6
[M-H]- 167.14413 156.7
[M+NH4]+ 186.18523 164.4
[M+K]+ 207.11457 158.3
[M+H-H2O]+ 151.14867 150.7
[M+HCOO]- 213.14961 162.1
[M+CH3COO]- 227.16526 158.8
[M+Na-2H]- 189.12608 154.1
[M]+ 168.15086 151.0
[M]- 168.15196 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