CID 79015

Methanediol

Structural Information

Molecular Formula
CH4O2
SMILES
C(O)O
InChI
InChI=1S/CH4O2/c2-1-3/h2-3H,1H2
InChIKey
CKFGINPQOCXMAZ-UHFFFAOYSA-N
Compound name
methanediol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1487
References

83245
Patents

48.02113 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 49.028406 103.3
[M+Na]+ 71.010348 111.7
[M-H]- 47.013854 101.6
[M+NH4]+ 66.054953 127.3
[M+K]+ 86.984288 111.9
[M+H-H2O]+ 31.018390 100.2
[M+HCOO]- 93.019331 126.1
[M+CH3COO]- 107.03498 150.5
[M+Na-2H]- 68.995796 112.0
[M]+ 48.020581 101.7
[M]- 48.021679 101.7
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