CID 14743312

2-(prop-2-yn-1-yloxy)propanoic acid

Structural Information

Molecular Formula
C6H8O3
SMILES
CC(C(=O)O)OCC#C
InChI
InChI=1S/C6H8O3/c1-3-4-9-5(2)6(7)8/h1,5H,4H2,2H3,(H,7,8)
InChIKey
ASOPQMMSXAFJQU-UHFFFAOYSA-N
Compound name
2-prop-2-ynoxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

128.04735 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05463 124.4
[M+Na]+ 151.03657 133.4
[M-H]- 127.04007 123.1
[M+NH4]+ 146.08117 143.4
[M+K]+ 167.01051 132.8
[M+H-H2O]+ 111.04461 114.2
[M+HCOO]- 173.04555 140.4
[M+CH3COO]- 187.06120 178.9
[M+Na-2H]- 149.02202 128.1
[M]+ 128.04680 120.2
[M]- 128.04790 120.2
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