CID 25079283

84604-64-8

Structural Information

Molecular Formula
C12H20O2
SMILES
CC(C)C1C2CCCCC2CC(=O)O1
InChI
InChI=1S/C12H20O2/c1-8(2)12-10-6-4-3-5-9(10)7-11(13)14-12/h8-10,12H,3-7H2,1-2H3
InChIKey
VODJLKMFVDDWEY-UHFFFAOYSA-N
Compound name
1-propan-2-yl-1,4,4a,5,6,7,8,8a-octahydroisochromen-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.14633 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.153606 144.6
[M+Na]+ 219.135548 148.9
[M-H]- 195.139054 148.5
[M+NH4]+ 214.180153 163.6
[M+K]+ 235.109488 148.4
[M+H-H2O]+ 179.143590 138.8
[M+HCOO]- 241.144531 159.4
[M+CH3COO]- 255.160181 186.0
[M+Na-2H]- 217.120996 147.7
[M]+ 196.14578142 140.0
[M]- 196.14687858 140.0
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.