CID 44123461

Ethyl 2-hydroxybut-3-ynoate

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

53
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 124.3
[M+Na]+ 151.03657 133.5
[M+NH4]+ 146.08117 127.6
[M+K]+ 167.01051 127.1
[M-H]- 127.04007 114.5
[M+Na-2H]- 149.02202 124.3
[M]+ 128.04680 121.7
[M]- 128.04790 121.7
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