CID 43128770

2-(but-3-en-1-yloxy)propanoic acid

Structural Information

Molecular Formula
C7H12O3
SMILES
CC(C(=O)O)OCCC=C
InChI
InChI=1S/C7H12O3/c1-3-4-5-10-6(2)7(8)9/h3,6H,1,4-5H2,2H3,(H,8,9)
InChIKey
YZEUQGORHPHYHI-UHFFFAOYSA-N
Compound name
2-but-3-enoxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

144.07864 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 130.6
[M+Na]+ 167.067858 137.1
[M-H]- 143.071364 129.4
[M+NH4]+ 162.112463 151.3
[M+K]+ 183.041798 136.8
[M+H-H2O]+ 127.075900 126.1
[M+HCOO]- 189.076841 151.7
[M+CH3COO]- 203.092491 173.3
[M+Na-2H]- 165.053306 134.1
[M]+ 144.07809142 132.0
[M]- 144.07918858 132.0
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