CID 71432933

2-((3-ethynyloxetan-3-yl)oxy)acetic acid

Structural Information

Molecular Formula
C7H8O4
SMILES
C#CC1(COC1)OCC(=O)O
InChI
InChI=1S/C7H8O4/c1-2-7(4-10-5-7)11-3-6(8)9/h1H,3-5H2,(H,8,9)
InChIKey
MZKZHZKXFSFKQM-UHFFFAOYSA-N
Compound name
2-(3-ethynyloxetan-3-yl)oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

156.04225 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04953 130.4
[M+Na]+ 179.03147 135.8
[M+NH4]+ 174.07607 131.4
[M+K]+ 195.00541 129.9
[M-H]- 155.03497 120.7
[M+Na-2H]- 177.01692 130.0
[M]+ 156.04170 126.5
[M]- 156.04280 126.5
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