CID 87398516

Propynyl-peg1-ac

Structural Information

Molecular Formula
C7H10O4
SMILES
C#CCOCCOCC(=O)O
InChI
InChI=1S/C7H10O4/c1-2-3-10-4-5-11-6-7(8)9/h1H,3-6H2,(H,8,9)
InChIKey
OFHMCWOCIIQXLU-UHFFFAOYSA-N
Compound name
2-(2-prop-2-ynoxyethoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

158.0579 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.06518 130.8
[M+Na]+ 181.04712 139.6
[M+NH4]+ 176.09172 133.5
[M+K]+ 197.02106 132.8
[M-H]- 157.05062 120.7
[M+Na-2H]- 179.03257 130.5
[M]+ 158.05735 128.0
[M]- 158.05845 128.0
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