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]+ 195.174346 144.0
[M+Na]+ 217.156288 151.0
[M-H]- 193.159794 148.9
[M+NH4]+ 212.200893 166.0
[M+K]+ 233.130228 150.0
[M+H-H2O]+ 177.164330 139.0
[M+HCOO]- 239.165271 160.7
[M+CH3COO]- 253.180921 187.2
[M+Na-2H]- 215.141736 149.4
[M]+ 194.16652142 141.9
[M]- 194.16761858 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.