CID 121773

30297-14-4

Structural Information

Molecular Formula
C11H16O
SMILES
CC1CC2CCCCC2=CC1=O
InChI
InChI=1S/C11H16O/c1-8-6-9-4-2-3-5-10(9)7-11(8)12/h7-9H,2-6H2,1H3
InChIKey
XOJADZURPUVMRO-UHFFFAOYSA-N
Compound name
3-methyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.12012 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 134.7
[M+Na]+ 187.10934 140.7
[M-H]- 163.11284 138.5
[M+NH4]+ 182.15394 156.5
[M+K]+ 203.08328 138.3
[M+H-H2O]+ 147.11738 129.2
[M+HCOO]- 209.11832 153.1
[M+CH3COO]- 223.13397 179.6
[M+Na-2H]- 185.09479 139.7
[M]+ 164.11957 129.8
[M]- 164.12067 129.8
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

No patent data available for this compound.