CID 85799495

3-butyl-5-methyloxan-4-ol

Structural Information

Molecular Formula
C10H20O2
SMILES
CCCCC1COCC(C1O)C
InChI
InChI=1S/C10H20O2/c1-3-4-5-9-7-12-6-8(2)10(9)11/h8-11H,3-7H2,1-2H3
InChIKey
HELKCBJDYFAYAN-UHFFFAOYSA-N
Compound name
3-butyl-5-methyloxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.14633 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.153606 140.5
[M+Na]+ 195.135548 145.8
[M-H]- 171.139054 142.8
[M+NH4]+ 190.180153 159.3
[M+K]+ 211.109488 145.5
[M+H-H2O]+ 155.143590 135.3
[M+HCOO]- 217.144531 158.4
[M+CH3COO]- 231.160181 179.1
[M+Na-2H]- 193.120996 144.3
[M]+ 172.14578142 138.9
[M]- 172.14687858 138.9
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.