CID 567757

823204-45-1

Structural Information

Molecular Formula
C12H20O
SMILES
CCOC1C=C(C2CC1C2(C)C)C
InChI
InChI=1S/C12H20O/c1-5-13-11-6-8(2)9-7-10(11)12(9,3)4/h6,9-11H,5,7H2,1-4H3
InChIKey
LQQWUEVOGQWTBB-UHFFFAOYSA-N
Compound name
4-ethoxy-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

180.15141 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.158686 152.4
[M+Na]+ 203.140628 159.3
[M-H]- 179.144134 152.4
[M+NH4]+ 198.185233 173.0
[M+K]+ 219.114568 160.0
[M+H-H2O]+ 163.148670 144.5
[M+HCOO]- 225.149611 166.5
[M+CH3COO]- 239.165261 193.3
[M+Na-2H]- 201.126076 160.9
[M]+ 180.15086142 166.7
[M]- 180.15195858 166.7
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