CID 68410

2-methylpropane-1,2-diol

Structural Information

Molecular Formula
C4H10O2
SMILES
CC(C)(CO)O
InChI
InChI=1S/C4H10O2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3
InChIKey
BTVWZWFKMIUSGS-UHFFFAOYSA-N
Compound name
2-methylpropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

20847
Patents

90.06808 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.075356 117.1
[M+Na]+ 113.05730 124.8
[M-H]- 89.060804 115.2
[M+NH4]+ 108.10190 139.7
[M+K]+ 129.03124 124.6
[M+H-H2O]+ 73.065340 114.2
[M+HCOO]- 135.06628 137.5
[M+CH3COO]- 149.08193 160.0
[M+Na-2H]- 111.04275 124.9
[M]+ 90.067531 116.3
[M]- 90.068629 116.3
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

No patent data available for this compound.