CID 72746984

4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-2-ene

Structural Information

Molecular Formula
C10H16O
SMILES
CC1C=CC2CC1OC2(C)C
InChI
InChI=1S/C10H16O/c1-7-4-5-8-6-9(7)11-10(8,2)3/h4-5,7-9H,6H2,1-3H3
InChIKey
OVUFWOJDFGZYRB-UHFFFAOYSA-N
Compound name
4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

152.12012 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 131.5
[M+Na]+ 175.109338 140.2
[M-H]- 151.112844 135.5
[M+NH4]+ 170.153943 157.5
[M+K]+ 191.083278 139.4
[M+H-H2O]+ 135.117380 127.9
[M+HCOO]- 197.118321 151.2
[M+CH3COO]- 211.133971 177.8
[M+Na-2H]- 173.094786 138.7
[M]+ 152.11957142 132.0
[M]- 152.12066858 132.0
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

No patent data available for this compound.