CID 34711

5,5-dipropyltetrahydro-3-furanol

Structural Information

Molecular Formula
C10H20O2
SMILES
CCCC1(CC(CO1)O)CCC
InChI
InChI=1S/C10H20O2/c1-3-5-10(6-4-2)7-9(11)8-12-10/h9,11H,3-8H2,1-2H3
InChIKey
STXIKETXVNCOMR-UHFFFAOYSA-N
Compound name
5,5-dipropyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.14633 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.15361 139.8
[M+Na]+ 195.13555 146.0
[M-H]- 171.13905 142.2
[M+NH4]+ 190.18015 162.1
[M+K]+ 211.10949 145.6
[M+H-H2O]+ 155.14359 135.8
[M+HCOO]- 217.14453 159.8
[M+CH3COO]- 231.16018 177.2
[M+Na-2H]- 193.12100 144.4
[M]+ 172.14578 140.1
[M]- 172.14688 140.1
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.