CID 5005111

4-hydroxy-7-methyl-1-indanone

Structural Information

Molecular Formula
C10H10O2
SMILES
CC1=C2C(=C(C=C1)O)CCC2=O
InChI
InChI=1S/C10H10O2/c1-6-2-4-8(11)7-3-5-9(12)10(6)7/h2,4,11H,3,5H2,1H3
InChIKey
LQCJCAYSGRFFCU-UHFFFAOYSA-N
Compound name
4-hydroxy-7-methyl-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

18
Patents

162.06808 Da
Monoisotopic Mass

1.7
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