CID 65945174

Methyl2-hydroxyhex-5-ynoate

Structural Information

Molecular Formula
C7H10O3
SMILES
COC(=O)C(CCC#C)O
InChI
InChI=1S/C7H10O3/c1-3-4-5-6(8)7(9)10-2/h1,6,8H,4-5H2,2H3
InChIKey
TUAZJZAQCUHION-UHFFFAOYSA-N
Compound name
methyl 2-hydroxyhex-5-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.06299 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 128.2
[M+Na]+ 165.05221 137.3
[M+NH4]+ 160.09681 131.4
[M+K]+ 181.02615 130.7
[M-H]- 141.05571 118.5
[M+Na-2H]- 163.03766 128.1
[M]+ 142.06244 125.6
[M]- 142.06354 125.6
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.