CID 55303494

2-hydroxyhex-5-ynoic acid

Structural Information

Molecular Formula
C6H8O3
SMILES
C#CCCC(C(=O)O)O
InChI
InChI=1S/C6H8O3/c1-2-3-4-5(7)6(8)9/h1,5,7H,3-4H2,(H,8,9)
InChIKey
PKXWMAGZVOBKLF-UHFFFAOYSA-N
Compound name
2-hydroxyhex-5-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 126.3
[M+Na]+ 151.03657 135.0
[M-H]- 127.04007 123.8
[M+NH4]+ 146.08117 144.7
[M+K]+ 167.01051 133.6
[M+H-H2O]+ 111.04461 116.4
[M+HCOO]- 173.04555 141.0
[M+CH3COO]- 187.06120 176.6
[M+Na-2H]- 149.02202 129.4
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.