CID 44123461

Ethyl 2-hydroxy-3-butynoate

Structural Information

Molecular Formula
C6H8O3
SMILES
CCOC(=O)C(C#C)O
InChI
InChI=1S/C6H8O3/c1-3-5(7)6(8)9-4-2/h1,5,7H,4H2,2H3
InChIKey
GDWLVFKOPXSIAE-UHFFFAOYSA-N
Compound name
ethyl 2-hydroxybut-3-ynoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

54
Patents

128.04735 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05463 124.7
[M+Na]+ 151.03657 133.8
[M-H]- 127.04007 123.5
[M+NH4]+ 146.08117 143.8
[M+K]+ 167.01051 133.2
[M+H-H2O]+ 111.04461 114.6
[M+HCOO]- 173.04555 140.7
[M+CH3COO]- 187.06120 178.3
[M+Na-2H]- 149.02202 128.4
[M]+ 128.04680 120.4
[M]- 128.04790 120.4
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