CID 21264

2-ethyl-4-pentenal

Structural Information

Molecular Formula
C7H12O
SMILES
CCC(CC=C)C=O
InChI
InChI=1S/C7H12O/c1-3-5-7(4-2)6-8/h3,6-7H,1,4-5H2,2H3
InChIKey
UADJTDURPOSPRM-UHFFFAOYSA-N
Compound name
2-ethylpent-4-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

143
Patents

112.08881 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.09609 123.3
[M+Na]+ 135.07803 130.5
[M-H]- 111.08153 123.6
[M+NH4]+ 130.12263 146.2
[M+K]+ 151.05197 129.9
[M+H-H2O]+ 95.086070 119.1
[M+HCOO]- 157.08701 146.5
[M+CH3COO]- 171.10266 171.3
[M+Na-2H]- 133.06348 128.8
[M]+ 112.08826 124.4
[M]- 112.08936 124.4
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