CID 16205938

Ns00039904

Structural Information

Molecular Formula
C13H22O
SMILES
CC1=C(CC2COC(CC2C1)(C)C)C
InChI
InChI=1S/C13H22O/c1-9-5-11-7-13(3,4)14-8-12(11)6-10(9)2/h11-12H,5-8H2,1-4H3
InChIKey
RZLXGTKIGFFSMN-UHFFFAOYSA-N
Compound name
3,3,6,7-tetramethyl-1,4,4a,5,8,8a-hexahydroisochromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.16707 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.17435 145.0
[M+Na]+ 217.15629 157.8
[M+NH4]+ 212.20089 156.7
[M+K]+ 233.13023 148.7
[M-H]- 193.15979 149.9
[M+Na-2H]- 215.14174 150.8
[M]+ 194.16652 148.5
[M]- 194.16762 148.5
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.