CID 121232761

Dtxsid5052335

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
1
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]+ 197.18999 148.1
[M+Na]+ 219.17193 154.6
[M-H]- 195.17543 150.4
[M+NH4]+ 214.21653 171.2
[M+K]+ 235.14587 152.9
[M+H-H2O]+ 179.17997 144.3
[M+HCOO]- 241.18091 167.3
[M+CH3COO]- 255.19656 186.8
[M+Na-2H]- 217.15738 148.0
[M]+ 196.18216 148.1
[M]- 196.18326 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.