CID 34733

5,5-diethyl-2,2-dimethyloxolan-3-ol

Structural Information

Molecular Formula
C10H20O2
SMILES
CCC1(CC(C(O1)(C)C)O)CC
InChI
InChI=1S/C10H20O2/c1-5-10(6-2)7-8(11)9(3,4)12-10/h8,11H,5-7H2,1-4H3
InChIKey
GHTVYNIKBDCFBX-UHFFFAOYSA-N
Compound name
5,5-diethyl-2,2-dimethyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.14633 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.153606 135.7
[M+Na]+ 195.135548 143.9
[M-H]- 171.139054 139.0
[M+NH4]+ 190.180153 160.5
[M+K]+ 211.109488 143.7
[M+H-H2O]+ 155.143590 133.3
[M+HCOO]- 217.144531 155.8
[M+CH3COO]- 231.160181 178.1
[M+Na-2H]- 193.120996 141.3
[M]+ 172.14578142 137.0
[M]- 172.14687858 137.0
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.