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

75
Patents

116.08373 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.09101 121.2
[M+Na]+ 139.07295 129.1
[M-H]- 115.07645 124.4
[M+NH4]+ 134.11755 145.8
[M+K]+ 155.04689 129.8
[M+H-H2O]+ 99.080990 118.0
[M+HCOO]- 161.08193 142.5
[M+CH3COO]- 175.09758 165.1
[M+Na-2H]- 137.05840 128.0
[M]+ 116.08318 120.1
[M]- 116.08428 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