CID 118133

34131-96-9

Structural Information

Molecular Formula
C13H20O
SMILES
CC(C)C1CCC2=CC(=O)CCC2C1
InChI
InChI=1S/C13H20O/c1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10/h8-11H,3-7H2,1-2H3
InChIKey
XQKOWLJBFQBFMO-UHFFFAOYSA-N
Compound name
6-propan-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

38
Patents

192.15141 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.158686 144.1
[M+Na]+ 215.140628 148.9
[M-H]- 191.144134 147.5
[M+NH4]+ 210.185233 164.7
[M+K]+ 231.114568 146.5
[M+H-H2O]+ 175.148670 138.4
[M+HCOO]- 237.149611 160.8
[M+CH3COO]- 251.165261 186.6
[M+Na-2H]- 213.126076 146.8
[M]+ 192.15086142 139.2
[M]- 192.15195858 139.2
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