CID 66838

Prop-2-en-1-yl pent-4-enoate

Structural Information

Molecular Formula
C8H12O2
SMILES
C=CCCC(=O)OCC=C
InChI
InChI=1S/C8H12O2/c1-3-5-6-8(9)10-7-4-2/h3-4H,1-2,5-7H2
InChIKey
KIMFDBOZBIWTFM-UHFFFAOYSA-N
Compound name
prop-2-enyl pent-4-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

231
Patents

140.08372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 129.6
[M+Na]+ 163.072938 136.8
[M-H]- 139.076444 129.8
[M+NH4]+ 158.117543 151.4
[M+K]+ 179.046878 135.7
[M+H-H2O]+ 123.080980 125.1
[M+HCOO]- 185.081921 152.9
[M+CH3COO]- 199.097571 174.6
[M+Na-2H]- 161.058386 134.6
[M]+ 140.08317142 131.8
[M]- 140.08426858 131.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe