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
2
Annotation Hits

0
References

42
Patents

192.15141 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 144.1
[M+Na]+ 215.14063 148.9
[M-H]- 191.14413 147.5
[M+NH4]+ 210.18523 164.7
[M+K]+ 231.11457 146.5
[M+H-H2O]+ 175.14867 138.4
[M+HCOO]- 237.14961 160.8
[M+CH3COO]- 251.16526 186.6
[M+Na-2H]- 213.12608 146.8
[M]+ 192.15086 139.2
[M]- 192.15196 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