CID 109244

4-methyl-1-oxaspiro(5.5)undecene

Structural Information

Molecular Formula
C11H18O
SMILES
CC1CC2(CCCCC2)OC=C1
InChI
InChI=1S/C11H18O/c1-10-5-8-12-11(9-10)6-3-2-4-7-11/h5,8,10H,2-4,6-7,9H2,1H3
InChIKey
WJHAXQNOQJKTQV-UHFFFAOYSA-N
Compound name
4-methyl-1-oxaspiro[5.5]undec-2-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

14
Patents

166.13577 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.143046 137.2
[M+Na]+ 189.124988 141.6
[M-H]- 165.128494 142.5
[M+NH4]+ 184.169593 158.4
[M+K]+ 205.098928 141.1
[M+H-H2O]+ 149.133030 131.2
[M+HCOO]- 211.133971 154.7
[M+CH3COO]- 225.149621 176.6
[M+Na-2H]- 187.110436 144.3
[M]+ 166.13522142 131.0
[M]- 166.13631858 131.0
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