CID 16718859

4-(2-methoxyethoxy)butanoic acid

Structural Information

Molecular Formula
C7H14O4
SMILES
COCCOCCCC(=O)O
InChI
InChI=1S/C7H14O4/c1-10-5-6-11-4-2-3-7(8)9/h2-6H2,1H3,(H,8,9)
InChIKey
KAPBHHXFLZBNTF-UHFFFAOYSA-N
Compound name
4-(2-methoxyethoxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

162.0892 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.096476 134.5
[M+Na]+ 185.078418 140.9
[M-H]- 161.081924 133.2
[M+NH4]+ 180.123023 154.5
[M+K]+ 201.052358 141.2
[M+H-H2O]+ 145.086460 129.6
[M+HCOO]- 207.087401 156.6
[M+CH3COO]- 221.103051 175.4
[M+Na-2H]- 183.063866 139.3
[M]+ 162.08865142 138.8
[M]- 162.08974858 138.8
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