CID 27642

16024-56-9

Structural Information

Molecular Formula
C5H10O4
SMILES
COCCOCC(=O)O
InChI
InChI=1S/C5H10O4/c1-8-2-3-9-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChIKey
CLLLODNOQBVIMS-UHFFFAOYSA-N
Compound name
2-(2-methoxyethoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

4833
Patents

134.0579 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.065176 125.2
[M+Na]+ 157.047118 132.4
[M-H]- 133.050624 124.2
[M+NH4]+ 152.091723 146.3
[M+K]+ 173.021058 133.2
[M+H-H2O]+ 117.055160 120.7
[M+HCOO]- 179.056101 148.0
[M+CH3COO]- 193.071751 169.4
[M+Na-2H]- 155.032566 131.1
[M]+ 134.05735142 128.7
[M]- 134.05844858 128.7
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