CID 13971964

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

Structural Information

Molecular Formula
C5H6O3
SMILES
C#CCOCC(=O)O
InChI
InChI=1S/C5H6O3/c1-2-3-8-4-5(6)7/h1H,3-4H2,(H,6,7)
InChIKey
DZQBMVUCILXGLV-UHFFFAOYSA-N
Compound name
2-prop-2-ynoxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

114.03169 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03897 120.3
[M+Na]+ 137.02091 129.9
[M+NH4]+ 132.06551 123.8
[M+K]+ 152.99485 123.1
[M-H]- 113.02441 110.7
[M+Na-2H]- 135.00636 120.9
[M]+ 114.03114 117.8
[M]- 114.03224 117.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe