CID 121232761

Refchem:280873

Structural Information

Molecular Formula
C13H24O
SMILES
CC1=CCC(C1(C)C)CC(C)C(C)O
InChI
InChI=1S/C13H24O/c1-9(11(3)14)8-12-7-6-10(2)13(12,4)5/h6,9,11-12,14H,7-8H2,1-5H3
InChIKey
KIFXFEPQLGDGAP-UHFFFAOYSA-N
Compound name
3-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

196.18271 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.189986 148.1
[M+Na]+ 219.171928 154.6
[M-H]- 195.175434 150.4
[M+NH4]+ 214.216533 171.2
[M+K]+ 235.145868 152.9
[M+H-H2O]+ 179.179970 144.3
[M+HCOO]- 241.180911 167.3
[M+CH3COO]- 255.196561 186.8
[M+Na-2H]- 217.157376 148.0
[M]+ 196.18216142 148.1
[M]- 196.18325858 148.1
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.