CID 64535384

3-(oxolan-3-yl)prop-2-ynoic acid

Structural Information

Molecular Formula
C7H8O3
SMILES
C1COCC1C#CC(=O)O
InChI
InChI=1S/C7H8O3/c8-7(9)2-1-6-3-4-10-5-6/h6H,3-5H2,(H,8,9)
InChIKey
UGQFNGGKPGZPBZ-UHFFFAOYSA-N
Compound name
3-(oxolan-3-yl)prop-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.04735 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.05463 127.8
[M+Na]+ 163.03657 136.7
[M-H]- 139.04007 128.9
[M+NH4]+ 158.08117 146.6
[M+K]+ 179.01051 134.8
[M+H-H2O]+ 123.04461 116.8
[M+HCOO]- 185.04555 143.0
[M+CH3COO]- 199.06120 176.1
[M+Na-2H]- 161.02202 131.6
[M]+ 140.04680 120.6
[M]- 140.04790 120.6
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

No patent data available for this compound.