CID 3611923

5-methyl-6-(oxolan-2-yl)hexan-2-ol

Structural Information

Molecular Formula
C11H22O2
SMILES
CC(CCC(C)O)CC1CCCO1
InChI
InChI=1S/C11H22O2/c1-9(5-6-10(2)12)8-11-4-3-7-13-11/h9-12H,3-8H2,1-2H3
InChIKey
OABNYPIBVNFJKA-UHFFFAOYSA-N
Compound name
5-methyl-6-(oxolan-2-yl)hexan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.16199 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.169266 148.3
[M+Na]+ 209.151208 151.7
[M-H]- 185.154714 149.9
[M+NH4]+ 204.195813 167.5
[M+K]+ 225.125148 151.8
[M+H-H2O]+ 169.159250 142.9
[M+HCOO]- 231.160191 165.9
[M+CH3COO]- 245.175841 181.2
[M+Na-2H]- 207.136656 149.0
[M]+ 186.16144142 146.9
[M]- 186.16253858 146.9
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.