CID 43247827

4-propoxybutanoic acid

Structural Information

Molecular Formula
C7H14O3
SMILES
CCCOCCCC(=O)O
InChI
InChI=1S/C7H14O3/c1-2-5-10-6-3-4-7(8)9/h2-6H2,1H3,(H,8,9)
InChIKey
IWPPWTPACQFMLJ-UHFFFAOYSA-N
Compound name
4-propoxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

146.0943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.10158 131.9
[M+Na]+ 169.08352 138.3
[M-H]- 145.08702 130.7
[M+NH4]+ 164.12812 152.7
[M+K]+ 185.05746 138.2
[M+H-H2O]+ 129.09156 127.3
[M+HCOO]- 191.09250 153.8
[M+CH3COO]- 205.10815 173.4
[M+Na-2H]- 167.06897 136.7
[M]+ 146.09375 134.7
[M]- 146.09485 134.7
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