CID 66963592

Chebi:177980

Structural Information

Molecular Formula
C13H20O
SMILES
CC1C(C=C2C1(C=CCC2(C)C)C)O
InChI
InChI=1S/C13H20O/c1-9-10(14)8-11-12(2,3)6-5-7-13(9,11)4/h5,7-10,14H,6H2,1-4H3
InChIKey
MHUYBIUXLMLCJM-UHFFFAOYSA-N
Compound name
1,4,4,7a-tetramethyl-2,5-dihydro-1H-inden-2-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

25
Patents

192.15141 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.158686 142.4
[M+Na]+ 215.140628 151.9
[M-H]- 191.144134 146.3
[M+NH4]+ 210.185233 169.1
[M+K]+ 231.114568 148.5
[M+H-H2O]+ 175.148670 139.1
[M+HCOO]- 237.149611 162.2
[M+CH3COO]- 251.165261 183.6
[M+Na-2H]- 213.126076 147.2
[M]+ 192.15086142 141.8
[M]- 192.15195858 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe