CID 12374120

7-methylbicyclo[3.3.1]non-6-en-3-one

Structural Information

Molecular Formula
C10H14O
SMILES
CC1=CC2CC(C1)CC(=O)C2
InChI
InChI=1S/C10H14O/c1-7-2-8-4-9(3-7)6-10(11)5-8/h2,8-9H,3-6H2,1H3
InChIKey
WHCVIUFGYHCQID-UHFFFAOYSA-N
Compound name
7-methylbicyclo[3.3.1]non-6-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.10446 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.111736 130.0
[M+Na]+ 173.093678 136.8
[M-H]- 149.097184 132.7
[M+NH4]+ 168.138283 153.2
[M+K]+ 189.067618 134.6
[M+H-H2O]+ 133.101720 125.2
[M+HCOO]- 195.102661 148.6
[M+CH3COO]- 209.118311 177.8
[M+Na-2H]- 171.079126 136.7
[M]+ 150.10391142 126.7
[M]- 150.10500858 126.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe