CID 34711

5,5-dipropyloxolan-3-ol

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]+ 173.153606 139.8
[M+Na]+ 195.135548 146.0
[M-H]- 171.139054 142.2
[M+NH4]+ 190.180153 162.1
[M+K]+ 211.109488 145.6
[M+H-H2O]+ 155.143590 135.8
[M+HCOO]- 217.144531 159.8
[M+CH3COO]- 231.160181 177.2
[M+Na-2H]- 193.120996 144.4
[M]+ 172.14578142 140.1
[M]- 172.14687858 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.