CID 21909238

Refchem:486467

Structural Information

Molecular Formula
C12H24O
SMILES
CC(C(C)O)C(=C)C(C)C(C)(C)C
InChI
InChI=1S/C12H24O/c1-8(9(2)11(4)13)10(3)12(5,6)7/h9-11,13H,1H2,2-7H3
InChIKey
KQHNSYOQXVRMSX-UHFFFAOYSA-N
Compound name
3,5,6,6-tetramethyl-4-methylideneheptan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1539
Patents

184.18271 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.18999 146.7
[M+Na]+ 207.17193 151.2
[M-H]- 183.17543 145.4
[M+NH4]+ 202.21653 166.2
[M+K]+ 223.14587 150.7
[M+H-H2O]+ 167.17997 142.9
[M+HCOO]- 229.18091 162.1
[M+CH3COO]- 243.19656 186.9
[M+Na-2H]- 205.15738 146.1
[M]+ 184.18216 146.0
[M]- 184.18326 146.0
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.