CID 2795093

6-methyl-1-indanone

Structural Information

Molecular Formula
C10H10O
SMILES
CC1=CC2=C(CCC2=O)C=C1
InChI
InChI=1S/C10H10O/c1-7-2-3-8-4-5-10(11)9(8)6-7/h2-3,6H,4-5H2,1H3
InChIKey
DBOXRDYLMJMQBB-UHFFFAOYSA-N
Compound name
6-methyl-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

479
Patents

146.07317 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.08045 127.6
[M+Na]+ 169.06239 137.2
[M-H]- 145.06589 132.7
[M+NH4]+ 164.10699 152.3
[M+K]+ 185.03633 134.5
[M+H-H2O]+ 129.07043 122.9
[M+HCOO]- 191.07137 151.5
[M+CH3COO]- 205.08702 175.5
[M+Na-2H]- 167.04784 133.7
[M]+ 146.07262 127.5
[M]- 146.07372 127.5
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