CID 282219

7-hydroxy-6-methyl-1-indanone

Structural Information

Molecular Formula
C10H10O2
SMILES
CC1=C(C2=C(CCC2=O)C=C1)O
InChI
InChI=1S/C10H10O2/c1-6-2-3-7-4-5-8(11)9(7)10(6)12/h2-3,12H,4-5H2,1H3
InChIKey
ZASCFLVTYFAIBI-UHFFFAOYSA-N
Compound name
7-hydroxy-6-methyl-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

162.06808 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07536 130.9
[M+Na]+ 185.05730 140.9
[M-H]- 161.06080 134.9
[M+NH4]+ 180.10190 154.5
[M+K]+ 201.03124 137.8
[M+H-H2O]+ 145.06534 126.6
[M+HCOO]- 207.06628 153.5
[M+CH3COO]- 221.08193 176.0
[M+Na-2H]- 183.04275 135.9
[M]+ 162.06753 130.8
[M]- 162.06863 130.8
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