CID 34731

29839-75-6

Structural Information

Molecular Formula
C9H18O2
SMILES
CC1(CC(C(O1)(C)C)(C)O)C
InChI
InChI=1S/C9H18O2/c1-7(2)6-9(5,10)8(3,4)11-7/h10H,6H2,1-5H3
InChIKey
NUKMFPSAYVQCKQ-UHFFFAOYSA-N
Compound name
2,2,3,5,5-pentamethyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.13068 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.137956 127.6
[M+Na]+ 181.119898 137.1
[M-H]- 157.123404 131.5
[M+NH4]+ 176.164503 154.9
[M+K]+ 197.093838 137.5
[M+H-H2O]+ 141.127940 126.4
[M+HCOO]- 203.128881 148.0
[M+CH3COO]- 217.144531 175.2
[M+Na-2H]- 179.105346 135.3
[M]+ 158.13013142 129.0
[M]- 158.13122858 129.0
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.