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

55
Patents

162.0892 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09648 134.5
[M+Na]+ 185.07842 140.9
[M-H]- 161.08192 133.2
[M+NH4]+ 180.12302 154.5
[M+K]+ 201.05236 141.2
[M+H-H2O]+ 145.08646 129.6
[M+HCOO]- 207.08740 156.6
[M+CH3COO]- 221.10305 175.4
[M+Na-2H]- 183.06387 139.3
[M]+ 162.08865 138.8
[M]- 162.08975 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