CID 60146211

1245823-51-1

Structural Information

Molecular Formula
C14H24O7
SMILES
C#CCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C14H24O7/c1-2-4-17-6-8-19-10-12-21-13-11-20-9-7-18-5-3-14(15)16/h1H,3-13H2,(H,15,16)
InChIKey
GWIACWQVTBMVEI-UHFFFAOYSA-N
Compound name
3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

304.1522 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.15948 160.6
[M+Na]+ 327.14142 166.3
[M-H]- 303.14492 157.7
[M+NH4]+ 322.18602 173.1
[M+K]+ 343.11536 165.8
[M+H-H2O]+ 287.14946 148.2
[M+HCOO]- 349.15040 176.1
[M+CH3COO]- 363.16605 206.8
[M+Na-2H]- 325.12687 162.5
[M]+ 304.15165 165.0
[M]- 304.15275 165.0
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