CID 92041349

165038-56-2

Structural Information

Molecular Formula
C9H18O5
SMILES
COCCCOCCCOCC(=O)O
InChI
InChI=1S/C9H18O5/c1-12-4-2-5-13-6-3-7-14-8-9(10)11/h2-8H2,1H3,(H,10,11)
InChIKey
XMIPUZPVJRPANC-UHFFFAOYSA-N
Compound name
2-[3-(3-methoxypropoxy)propoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

206.11542 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.122696 146.1
[M+Na]+ 229.104638 151.5
[M-H]- 205.108144 144.3
[M+NH4]+ 224.149243 164.2
[M+K]+ 245.078578 151.8
[M+H-H2O]+ 189.112680 140.5
[M+HCOO]- 251.113621 167.8
[M+CH3COO]- 265.129271 183.5
[M+Na-2H]- 227.090086 149.9
[M]+ 206.11487142 152.6
[M]- 206.11596858 152.6
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.