CID 3611923

5-methyl-6-tetrahydro-2-furanyl-2-hexanol

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]+ 187.16927 148.3
[M+Na]+ 209.15121 151.7
[M-H]- 185.15471 149.9
[M+NH4]+ 204.19581 167.5
[M+K]+ 225.12515 151.8
[M+H-H2O]+ 169.15925 142.9
[M+HCOO]- 231.16019 165.9
[M+CH3COO]- 245.17584 181.2
[M+Na-2H]- 207.13666 149.0
[M]+ 186.16144 146.9
[M]- 186.16254 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.