CID 10877131

Methyl 2-(prop-2-yn-1-yloxy)acetate

Structural Information

Molecular Formula
C6H8O3
SMILES
COC(=O)COCC#C
InChI
InChI=1S/C6H8O3/c1-3-4-9-5-6(7)8-2/h1H,4-5H2,2H3
InChIKey
AIQJXQPQNMKDGJ-UHFFFAOYSA-N
Compound name
methyl 2-prop-2-ynoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
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 121.7
[M+Na]+ 151.036568 131.5
[M-H]- 127.040074 121.7
[M+NH4]+ 146.081173 141.6
[M+K]+ 167.010508 131.3
[M+H-H2O]+ 111.044610 111.4
[M+HCOO]- 173.045551 140.1
[M+CH3COO]- 187.061201 180.0
[M+Na-2H]- 149.022016 127.3
[M]+ 128.04680142 119.9
[M]- 128.04789858 119.9
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