CID 14991186

Methyl 2-hydroxypent-4-ynoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

128.04735 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.054626 124.7
[M+Na]+ 151.036568 133.8
[M-H]- 127.040074 123.5
[M+NH4]+ 146.081173 143.8
[M+K]+ 167.010508 133.2
[M+H-H2O]+ 111.044610 114.6
[M+HCOO]- 173.045551 140.7
[M+CH3COO]- 187.061201 178.3
[M+Na-2H]- 149.022016 128.4
[M]+ 128.04680142 120.4
[M]- 128.04789858 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

No literature data available for this compound.

Patent stripe

patents stripe