CID 162481

Octahydro-7-methyl-1,4-methanonaphthalen-6(2h)-one

Structural Information

Molecular Formula
C12H18O
SMILES
CC1CC2C3CCC(C3)C2CC1=O
InChI
InChI=1S/C12H18O/c1-7-4-10-8-2-3-9(5-8)11(10)6-12(7)13/h7-11H,2-6H2,1H3
InChIKey
VWFXPROOUAWFEE-UHFFFAOYSA-N
Compound name
5-methyltricyclo[6.2.1.02,7]undecan-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

534
Patents

178.13577 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.14305 142.1
[M+Na]+ 201.12499 149.1
[M-H]- 177.12849 145.5
[M+NH4]+ 196.16959 168.7
[M+K]+ 217.09893 145.7
[M+H-H2O]+ 161.13303 138.3
[M+HCOO]- 223.13397 159.7
[M+CH3COO]- 237.14962 155.0
[M+Na-2H]- 199.11044 143.4
[M]+ 178.13522 138.6
[M]- 178.13632 138.6
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