CID 21606187

2,4,5,7a-tetrahydro-3,6-dimethylbenzofuran

Structural Information

Molecular Formula
C10H14O
SMILES
CC1=CC2C(=C(CO2)C)CC1
InChI
InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h5,10H,3-4,6H2,1-2H3
InChIKey
NDGVBBGSPLJJRM-UHFFFAOYSA-N
Compound name
3,6-dimethyl-2,4,5,7a-tetrahydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

76
Patents

150.10446 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.111736 130.3
[M+Na]+ 173.093678 138.7
[M-H]- 149.097184 135.6
[M+NH4]+ 168.138283 153.7
[M+K]+ 189.067618 137.7
[M+H-H2O]+ 133.101720 125.8
[M+HCOO]- 195.102661 151.7
[M+CH3COO]- 209.118311 176.6
[M+Na-2H]- 171.079126 136.3
[M]+ 150.10391142 130.0
[M]- 150.10500858 130.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe