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]+ 205.158686 145.0
[M+Na]+ 227.140628 153.5
[M-H]- 203.144134 152.9
[M+NH4]+ 222.185233 167.3
[M+K]+ 243.114568 151.9
[M+H-H2O]+ 187.148670 140.0
[M+HCOO]- 249.149611 166.7
[M+CH3COO]- 263.165261 187.6
[M+Na-2H]- 225.126076 148.8
[M]+ 204.15086142 145.6
[M]- 204.15195858 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.