CID 12218391

5,5-dimethyloxolan-2-ol

Structural Information

Molecular Formula
C6H12O2
SMILES
CC1(CCC(O1)O)C
InChI
InChI=1S/C6H12O2/c1-6(2)4-3-5(7)8-6/h5,7H,3-4H2,1-2H3
InChIKey
QAHXHJJVMHUXJF-UHFFFAOYSA-N
Compound name
5,5-dimethyloxolan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

116.08373 Da
Monoisotopic Mass

0.7
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

literature stripe

Patent stripe

patents stripe