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

168
Patents

146.0943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.101576 131.9
[M+Na]+ 169.083518 138.3
[M-H]- 145.087024 130.7
[M+NH4]+ 164.128123 152.7
[M+K]+ 185.057458 138.2
[M+H-H2O]+ 129.091560 127.3
[M+HCOO]- 191.092501 153.8
[M+CH3COO]- 205.108151 173.4
[M+Na-2H]- 167.068966 136.7
[M]+ 146.09375142 134.7
[M]- 146.09484858 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