CID 34744

5,5-dimethyloxolan-3-ol

Structural Information

Molecular Formula
C6H12O2
SMILES
CC1(CC(CO1)O)C
InChI
InChI=1S/C6H12O2/c1-6(2)3-5(7)4-8-6/h5,7H,3-4H2,1-2H3
InChIKey
MPEYEQCMWJLKJQ-UHFFFAOYSA-N
Compound name
5,5-dimethyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

57
Patents

116.08373 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.091006 121.2
[M+Na]+ 139.072948 129.1
[M-H]- 115.076454 124.4
[M+NH4]+ 134.117553 145.8
[M+K]+ 155.046888 129.8
[M+H-H2O]+ 99.080990 118.0
[M+HCOO]- 161.081931 142.5
[M+CH3COO]- 175.097581 165.1
[M+Na-2H]- 137.058396 128.0
[M]+ 116.08318142 120.1
[M]- 116.08427858 120.1
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

patents stripe