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

16
Patents

166.13577 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.14305 137.2
[M+Na]+ 189.12499 141.6
[M-H]- 165.12849 142.5
[M+NH4]+ 184.16959 158.4
[M+K]+ 205.09893 141.1
[M+H-H2O]+ 149.13303 131.2
[M+HCOO]- 211.13397 154.7
[M+CH3COO]- 225.14962 176.6
[M+Na-2H]- 187.11044 144.3
[M]+ 166.13522 131.0
[M]- 166.13632 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