CID 6425

Pinacol

Structural Information

Molecular Formula
C6H14O2
SMILES
CC(C)(C(C)(C)O)O
InChI
InChI=1S/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,1-4H3
InChIKey
IVDFJHOHABJVEH-UHFFFAOYSA-N
Compound name
2,3-dimethylbutane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

161
References

43001
Patents

118.09938 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.10666 125.3
[M+Na]+ 141.08860 134.2
[M+NH4]+ 136.13320 132.4
[M+K]+ 157.06254 131.5
[M-H]- 117.09210 122.6
[M+Na-2H]- 139.07405 128.2
[M]+ 118.09883 125.7
[M]- 118.09993 125.7
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