CID 6441809

72010-18-5

Structural Information

Molecular Formula
C8H12O2
SMILES
CCC/C(=C\C=C)/C(=O)O
InChI
InChI=1S/C8H12O2/c1-3-5-7(6-4-2)8(9)10/h3,5H,1,4,6H2,2H3,(H,9,10)/b7-5+
InChIKey
UUILWXIBBZVJDU-FNORWQNLSA-N
Compound name
(2E)-2-propylpenta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

36
Patents

140.08372 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 130.8
[M+Na]+ 163.07294 137.4
[M-H]- 139.07644 129.7
[M+NH4]+ 158.11754 151.8
[M+K]+ 179.04688 135.7
[M+H-H2O]+ 123.08098 126.6
[M+HCOO]- 185.08192 151.6
[M+CH3COO]- 199.09757 172.7
[M+Na-2H]- 161.05839 133.9
[M]+ 140.08317 130.4
[M]- 140.08427 130.4
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