CID 130122526

Propyl 2-hydroxybut-3-enoate

Structural Information

Molecular Formula
C7H12O3
SMILES
CCCOC(=O)C(C=C)O
InChI
InChI=1S/C7H12O3/c1-3-5-10-7(9)6(8)4-2/h4,6,8H,2-3,5H2,1H3
InChIKey
MSOFTQQVQCGPET-UHFFFAOYSA-N
Compound name
propyl 2-hydroxybut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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 130.8
[M+Na]+ 167.067858 137.4
[M-H]- 143.071364 129.7
[M+NH4]+ 162.112463 151.6
[M+K]+ 183.041798 137.1
[M+H-H2O]+ 127.075900 126.4
[M+HCOO]- 189.076841 151.9
[M+CH3COO]- 203.092491 172.6
[M+Na-2H]- 165.053306 134.3
[M]+ 144.07809142 132.1
[M]- 144.07918858 132.1
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