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

9
Patents

156.04225 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.049526 122.3
[M+Na]+ 179.031468 130.2
[M-H]- 155.034974 124.4
[M+NH4]+ 174.076073 135.1
[M+K]+ 195.005408 133.7
[M+H-H2O]+ 139.039510 108.4
[M+HCOO]- 201.040451 137.0
[M+CH3COO]- 215.056101 183.8
[M+Na-2H]- 177.016916 129.1
[M]+ 156.04170142 126.6
[M]- 156.04279858 126.6
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

patents stripe