CID 10375541

3-pentanol, 2,2,4-trimethyl-1-((2-methyl-2-propenyl)oxy)-

Structural Information

Molecular Formula
C12H24O2
SMILES
CC(C)C(C(C)(C)COCC(=C)C)O
InChI
InChI=1S/C12H24O2/c1-9(2)7-14-8-12(5,6)11(13)10(3)4/h10-11,13H,1,7-8H2,2-6H3
InChIKey
GNVAISZHADZKJR-UHFFFAOYSA-N
Compound name
2,2,4-trimethyl-1-(2-methylprop-2-enoxy)pentan-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

200.17763 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.184906 150.8
[M+Na]+ 223.166848 155.3
[M-H]- 199.170354 149.3
[M+NH4]+ 218.211453 169.6
[M+K]+ 239.140788 154.8
[M+H-H2O]+ 183.174890 146.6
[M+HCOO]- 245.175831 167.4
[M+CH3COO]- 259.191481 188.5
[M+Na-2H]- 221.152296 151.4
[M]+ 200.17708142 152.3
[M]- 200.17817858 152.3
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