CID 3019826

84282-21-3

Structural Information

Molecular Formula
C10H18O5
SMILES
C(COCCOCC#CCOCCO)O
InChI
InChI=1S/C10H18O5/c11-3-7-13-5-1-2-6-14-9-10-15-8-4-12/h11-12H,3-10H2
InChIKey
TWNJCZLTHAGRRE-UHFFFAOYSA-N
Compound name
2-[2-[4-(2-hydroxyethoxy)but-2-ynoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.11542 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.122696 143.4
[M+Na]+ 241.104638 150.6
[M-H]- 217.108144 140.0
[M+NH4]+ 236.149243 158.8
[M+K]+ 257.078578 149.2
[M+H-H2O]+ 201.112680 132.2
[M+HCOO]- 263.113621 159.0
[M+CH3COO]- 277.129271 189.1
[M+Na-2H]- 239.090086 147.4
[M]+ 218.11487142 143.2
[M]- 218.11596858 143.2
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

No patent data available for this compound.