CID 101409164

4-methylene-1-(1-methylethyl)-7-oxabicyclo[4.1.0]heptane

Structural Information

Molecular Formula
C10H16O
SMILES
CC(C)C12CCC(=C)CC1O2
InChI
InChI=1S/C10H16O/c1-7(2)10-5-4-8(3)6-9(10)11-10/h7,9H,3-6H2,1-2H3
InChIKey
ITEDXWDCHPDNGM-UHFFFAOYSA-N
Compound name
4-methylidene-1-propan-2-yl-7-oxabicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 134.4
[M+Na]+ 175.10934 143.2
[M-H]- 151.11284 140.4
[M+NH4]+ 170.15394 152.6
[M+K]+ 191.08328 142.9
[M+H-H2O]+ 135.11738 129.6
[M+HCOO]- 197.11832 152.4
[M+CH3COO]- 211.13397 181.5
[M+Na-2H]- 173.09479 141.3
[M]+ 152.11957 135.8
[M]- 152.12067 135.8
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

No patent data available for this compound.