CID 87398516

944561-45-9

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 129.1
[M+Na]+ 181.04712 138.0
[M-H]- 157.05062 127.6
[M+NH4]+ 176.09172 147.1
[M+K]+ 197.02106 137.2
[M+H-H2O]+ 141.05516 118.5
[M+HCOO]- 203.05610 146.0
[M+CH3COO]- 217.07175 182.7
[M+Na-2H]- 179.03257 133.7
[M]+ 158.05735 127.3
[M]- 158.05845 127.3
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