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

8
Patents

144.07864 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 130.8
[M+Na]+ 167.06786 137.4
[M-H]- 143.07136 129.7
[M+NH4]+ 162.11246 151.6
[M+K]+ 183.04180 137.1
[M+H-H2O]+ 127.07590 126.4
[M+HCOO]- 189.07684 151.9
[M+CH3COO]- 203.09249 172.6
[M+Na-2H]- 165.05331 134.3
[M]+ 144.07809 132.1
[M]- 144.07919 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