CID 5324848

(2s)-2,3-dimethylbutane-1,3-diol

Structural Information

Molecular Formula
C6H14O2
SMILES
C[C@@H](CO)C(C)(C)O
InChI
InChI=1S/C6H14O2/c1-5(4-7)6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1
InChIKey
ITZWYSUTSDPWAQ-YFKPBYRVSA-N
Compound name
(2S)-2,3-dimethylbutane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

118.09938 Da
Monoisotopic Mass

0.3
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 132.5
[M+K]+ 157.06254 131.0
[M-H]- 117.09210 123.0
[M+Na-2H]- 139.07405 127.9
[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

No literature data available for this compound.

Patent stripe

patents stripe