CID 98423

2,3-dimethylbutane-1,2-diol

Structural Information

Molecular Formula
C6H14O2
SMILES
CC(C)C(C)(CO)O
InChI
InChI=1S/C6H14O2/c1-5(2)6(3,8)4-7/h5,7-8H,4H2,1-3H3
InChIKey
SQLSBTNINKQQPG-UHFFFAOYSA-N
Compound name
2,3-dimethylbutane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

118.09938 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.106656 126.3
[M+Na]+ 141.088598 132.9
[M-H]- 117.092104 124.2
[M+NH4]+ 136.133203 147.7
[M+K]+ 157.062538 132.7
[M+H-H2O]+ 101.096640 123.0
[M+HCOO]- 163.097581 145.0
[M+CH3COO]- 177.113231 166.9
[M+Na-2H]- 139.074046 131.8
[M]+ 118.09883142 125.5
[M]- 118.09992858 125.5
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