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

682
Patents

178.13577 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.143046 142.1
[M+Na]+ 201.124988 149.1
[M-H]- 177.128494 145.5
[M+NH4]+ 196.169593 168.7
[M+K]+ 217.098928 145.7
[M+H-H2O]+ 161.133030 138.3
[M+HCOO]- 223.133971 159.7
[M+CH3COO]- 237.149621 155.0
[M+Na-2H]- 199.110436 143.4
[M]+ 178.13522142 138.6
[M]- 178.13631858 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