CID 44149581

94291-47-1

Structural Information

Molecular Formula
C12H20O
SMILES
CC1C2CCOC1CC(=C(C)C)C2
InChI
InChI=1S/C12H20O/c1-8(2)11-6-10-4-5-13-12(7-11)9(10)3/h9-10,12H,4-7H2,1-3H3
InChIKey
TUXXEIDBPWUQHY-UHFFFAOYSA-N
Compound name
9-methyl-7-propan-2-ylidene-2-oxabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.15141 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.158686 141.6
[M+Na]+ 203.140628 146.4
[M-H]- 179.144134 144.3
[M+NH4]+ 198.185233 162.2
[M+K]+ 219.114568 145.4
[M+H-H2O]+ 163.148670 136.5
[M+HCOO]- 225.149611 156.1
[M+CH3COO]- 239.165261 184.5
[M+Na-2H]- 201.126076 145.8
[M]+ 180.15086142 137.5
[M]- 180.15195858 137.5
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.