CID 3018523

2-propylpent-4-enal

Structural Information

Molecular Formula
C8H14O
SMILES
CCCC(CC=C)C=O
InChI
InChI=1S/C8H14O/c1-3-5-8(7-9)6-4-2/h3,7-8H,1,4-6H2,2H3
InChIKey
KCZBNTGSHQURPY-UHFFFAOYSA-N
Compound name
2-propylpent-4-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

126.10446 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.111736 128.0
[M+Na]+ 149.093678 134.8
[M-H]- 125.097184 128.1
[M+NH4]+ 144.138283 150.3
[M+K]+ 165.067618 133.9
[M+H-H2O]+ 109.101720 123.6
[M+HCOO]- 171.102661 150.8
[M+CH3COO]- 185.118311 174.3
[M+Na-2H]- 147.079126 133.0
[M]+ 126.10391142 129.5
[M]- 126.10500858 129.5
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