CID 88473

5-methylindan-4-ol

Structural Information

Molecular Formula
C10H12O
SMILES
CC1=C(C2=C(CCC2)C=C1)O
InChI
InChI=1S/C10H12O/c1-7-5-6-8-3-2-4-9(8)10(7)11/h5-6,11H,2-4H2,1H3
InChIKey
UGAKSUDKRHFNQW-UHFFFAOYSA-N
Compound name
5-methyl-2,3-dihydro-1H-inden-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

148.08882 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09610 129.4
[M+Na]+ 171.07804 142.0
[M+NH4]+ 166.12264 139.6
[M+K]+ 187.05198 136.9
[M-H]- 147.08154 132.0
[M+Na-2H]- 169.06349 135.2
[M]+ 148.08827 131.9
[M]- 148.08937 131.9
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

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