CID 25935

13382-47-3

Structural Information

Molecular Formula
C4H8O4
SMILES
C(COCC(=O)O)O
InChI
InChI=1S/C4H8O4/c5-1-2-8-3-4(6)7/h5H,1-3H2,(H,6,7)
InChIKey
VDNMIIDPBBCMTM-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

18
References

979
Patents

120.04226 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.049536 121.4
[M+Na]+ 143.031478 128.6
[M-H]- 119.034984 119.2
[M+NH4]+ 138.076083 142.4
[M+K]+ 159.005418 128.7
[M+H-H2O]+ 103.039520 117.3
[M+HCOO]- 165.040461 143.0
[M+CH3COO]- 179.056111 163.7
[M+Na-2H]- 141.016926 127.3
[M]+ 120.04171142 122.6
[M]- 120.04280858 122.6
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