CID 8019

2-methoxyethanol

Structural Information

Molecular Formula
C3H8O2
SMILES
COCCO
InChI
InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3
InChIKey
XNWFRZJHXBZDAG-UHFFFAOYSA-N
Compound name
2-methoxyethanol
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

400
References

94216
Patents

76.05243 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 77.059706 111.5
[M+Na]+ 99.041648 119.6
[M-H]- 75.045154 110.9
[M+NH4]+ 94.086253 135.3
[M+K]+ 115.01559 120.3
[M+H-H2O]+ 59.049690 107.9
[M+HCOO]- 121.05063 135.3
[M+CH3COO]- 135.06628 159.4
[M+Na-2H]- 97.027096 119.8
[M]+ 76.051881 112.7
[M]- 76.052979 112.7
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

No patent data available for this compound.