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
2
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]+ 165.127396 134.7
[M+Na]+ 187.109338 140.7
[M-H]- 163.112844 138.5
[M+NH4]+ 182.153943 156.5
[M+K]+ 203.083278 138.3
[M+H-H2O]+ 147.117380 129.2
[M+HCOO]- 209.118321 153.1
[M+CH3COO]- 223.133971 179.6
[M+Na-2H]- 185.094786 139.7
[M]+ 164.11957142 129.8
[M]- 164.12066858 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.