CID 60146217

1347760-82-0

Structural Information

Molecular Formula
C10H16O5
SMILES
C#CCOCCOCCOCCC(=O)O
InChI
InChI=1S/C10H16O5/c1-2-4-13-6-8-15-9-7-14-5-3-10(11)12/h1H,3-9H2,(H,11,12)
InChIKey
CJNSWLAJTZVSRB-UHFFFAOYSA-N
Compound name
3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

216.09978 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.10706 142.6
[M+Na]+ 239.08900 150.2
[M-H]- 215.09250 140.5
[M+NH4]+ 234.13360 158.4
[M+K]+ 255.06294 149.3
[M+H-H2O]+ 199.09704 131.3
[M+HCOO]- 261.09798 158.9
[M+CH3COO]- 275.11363 192.6
[M+Na-2H]- 237.07445 145.9
[M]+ 216.09923 143.1
[M]- 216.10033 143.1
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