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
3
Annotation Hits

0
References

27
Patents

200.17763 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.18491 150.8
[M+Na]+ 223.16685 155.3
[M-H]- 199.17035 149.3
[M+NH4]+ 218.21145 169.6
[M+K]+ 239.14079 154.8
[M+H-H2O]+ 183.17489 146.6
[M+HCOO]- 245.17583 167.4
[M+CH3COO]- 259.19148 188.5
[M+Na-2H]- 221.15230 151.4
[M]+ 200.17708 152.3
[M]- 200.17818 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