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]+ 159.13796 127.6
[M+Na]+ 181.11990 137.1
[M-H]- 157.12340 131.5
[M+NH4]+ 176.16450 154.9
[M+K]+ 197.09384 137.5
[M+H-H2O]+ 141.12794 126.4
[M+HCOO]- 203.12888 148.0
[M+CH3COO]- 217.14453 175.2
[M+Na-2H]- 179.10535 135.3
[M]+ 158.13013 129.0
[M]- 158.13123 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.