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 144.0
[M+Na]+ 217.15629 151.0
[M-H]- 193.15979 148.9
[M+NH4]+ 212.20089 166.0
[M+K]+ 233.13023 150.0
[M+H-H2O]+ 177.16433 139.0
[M+HCOO]- 239.16527 160.7
[M+CH3COO]- 253.18092 187.2
[M+Na-2H]- 215.14174 149.4
[M]+ 194.16652 141.9
[M]- 194.16762 141.9
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.