CID 131752931

3,6-dimethyl-1,3,3a,4,5,7a-hexahydro-2-benzofuran

Structural Information

Molecular Formula
C10H16O
SMILES
CC1C2CCC(=CC2CO1)C
InChI
InChI=1S/C10H16O/c1-7-3-4-10-8(2)11-6-9(10)5-7/h5,8-10H,3-4,6H2,1-2H3
InChIKey
DBDSRLQPJKTGQF-UHFFFAOYSA-N
Compound name
3,6-dimethyl-1,3,3a,4,5,7a-hexahydro-2-benzofuran
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

152.12012 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 132.3
[M+Na]+ 175.10934 139.6
[M-H]- 151.11284 137.2
[M+NH4]+ 170.15394 155.4
[M+K]+ 191.08328 138.8
[M+H-H2O]+ 135.11738 127.7
[M+HCOO]- 197.11832 152.1
[M+CH3COO]- 211.13397 177.0
[M+Na-2H]- 173.09479 137.3
[M]+ 152.11957 130.5
[M]- 152.12067 130.5
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.