CID 16205889

3,5,6,7,8,8a-hexahydro-4,7-dimethyl-2h-1-benzopyran

Structural Information

Molecular Formula
C11H18O
SMILES
CC1CCC2=C(CCOC2C1)C
InChI
InChI=1S/C11H18O/c1-8-3-4-10-9(2)5-6-12-11(10)7-8/h8,11H,3-7H2,1-2H3
InChIKey
GXAYAOBBVDEENR-UHFFFAOYSA-N
Compound name
4,7-dimethyl-3,5,6,7,8,8a-hexahydro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.13577 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.14305 136.0
[M+Na]+ 189.12499 141.9
[M-H]- 165.12849 140.5
[M+NH4]+ 184.16959 156.7
[M+K]+ 205.09893 141.1
[M+H-H2O]+ 149.13303 130.5
[M+HCOO]- 211.13397 153.4
[M+CH3COO]- 225.14962 180.4
[M+Na-2H]- 187.11044 142.0
[M]+ 166.13522 132.4
[M]- 166.13632 132.4
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.