CID 61138

4-pentenoic acid

Structural Information

Molecular Formula
C5H8O2
SMILES
C=CCCC(=O)O
InChI
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7)
InChIKey
HVAMZGADVCBITI-UHFFFAOYSA-N
Compound name
pent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

103
References

24054
Patents

100.05243 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.059706 118.1
[M+Na]+ 123.041648 125.7
[M-H]- 99.045154 117.3
[M+NH4]+ 118.086253 140.7
[M+K]+ 139.015588 125.1
[M+H-H2O]+ 83.049690 114.3
[M+HCOO]- 145.050631 140.7
[M+CH3COO]- 159.066281 164.4
[M+Na-2H]- 121.027096 124.1
[M]+ 100.05188142 118.0
[M]- 100.05297858 118.0
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