CID 25082930

Einecs 298-109-3

Structural Information

Molecular Formula
C13H24O
SMILES
CC1(CC(C2C1CCC(C2)O)(C)C)C
InChI
InChI=1S/C13H24O/c1-12(2)8-13(3,4)11-7-9(14)5-6-10(11)12/h9-11,14H,5-8H2,1-4H3
InChIKey
NVOIGJIAEOZJJI-UHFFFAOYSA-N
Compound name
1,1,3,3-tetramethyl-3a,4,5,6,7,7a-hexahydro-2H-inden-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.18271 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.189986 146.4
[M+Na]+ 219.171928 153.7
[M-H]- 195.175434 149.4
[M+NH4]+ 214.216533 172.6
[M+K]+ 235.145868 150.7
[M+H-H2O]+ 179.179970 143.1
[M+HCOO]- 241.180911 163.0
[M+CH3COO]- 255.196561 184.4
[M+Na-2H]- 217.157376 149.1
[M]+ 196.18216142 142.8
[M]- 196.18325858 142.8
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.