CID 34743

5-methyl-2-pentyltetrahydro-3-furanol

Structural Information

Molecular Formula
C10H20O2
SMILES
CCCCCC1C(CC(O1)C)O
InChI
InChI=1S/C10H20O2/c1-3-4-5-6-10-9(11)7-8(2)12-10/h8-11H,3-7H2,1-2H3
InChIKey
NIBUJLAHUUEDRO-UHFFFAOYSA-N
Compound name
5-methyl-2-pentyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.14633 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.15361 140.9
[M+Na]+ 195.13555 147.2
[M-H]- 171.13905 143.3
[M+NH4]+ 190.18015 161.5
[M+K]+ 211.10949 146.6
[M+H-H2O]+ 155.14359 136.2
[M+HCOO]- 217.14453 160.9
[M+CH3COO]- 231.16018 178.8
[M+Na-2H]- 193.12100 143.5
[M]+ 172.14578 141.3
[M]- 172.14688 141.3
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

No patent data available for this compound.