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]+ 151.11174 130.0
[M+Na]+ 173.09368 136.8
[M-H]- 149.09718 132.7
[M+NH4]+ 168.13828 153.2
[M+K]+ 189.06762 134.6
[M+H-H2O]+ 133.10172 125.2
[M+HCOO]- 195.10266 148.6
[M+CH3COO]- 209.11831 177.8
[M+Na-2H]- 171.07913 136.7
[M]+ 150.10391 126.7
[M]- 150.10501 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