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

10
Patents

128.04735 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05463 121.7
[M+Na]+ 151.03657 131.5
[M-H]- 127.04007 121.7
[M+NH4]+ 146.08117 141.6
[M+K]+ 167.01051 131.3
[M+H-H2O]+ 111.04461 111.4
[M+HCOO]- 173.04555 140.1
[M+CH3COO]- 187.06120 180.0
[M+Na-2H]- 149.02202 127.3
[M]+ 128.04680 119.9
[M]- 128.04790 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