CID 4131081

1-(4-methyl-2-furyl)-2,6,6-trimethylcyclohexene

Structural Information

Molecular Formula
C14H20O
SMILES
CC1=C(C(CCC1)(C)C)C2=CC(=CO2)C
InChI
InChI=1S/C14H20O/c1-10-8-12(15-9-10)13-11(2)6-5-7-14(13,3)4/h8-9H,5-7H2,1-4H3
InChIKey
MJHXNNUEBCRELF-UHFFFAOYSA-N
Compound name
4-methyl-2-(2,6,6-trimethylcyclohexen-1-yl)furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.15141 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15869 145.0
[M+Na]+ 227.14063 153.5
[M-H]- 203.14413 152.9
[M+NH4]+ 222.18523 167.3
[M+K]+ 243.11457 151.9
[M+H-H2O]+ 187.14867 140.0
[M+HCOO]- 249.14961 166.7
[M+CH3COO]- 263.16526 187.6
[M+Na-2H]- 225.12608 148.8
[M]+ 204.15086 145.6
[M]- 204.15196 145.6
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.