CID 5281168

Trans-2-hexenal

Structural Information

Molecular Formula
C6H10O
SMILES
CCC/C=C/C=O
InChI
InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+
InChIKey
MBDOYVRWFFCFHM-SNAWJCMRSA-N
Compound name
(E)-hex-2-enal
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

2948
References

16548
Patents

98.073166 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.080442 119.8
[M+Na]+ 121.06238 131.0
[M+NH4]+ 116.10699 128.1
[M+K]+ 137.03632 124.4
[M-H]- 97.065890 119.5
[M+Na-2H]- 119.04783 124.3
[M]+ 98.072617 121.1
[M]- 98.073715 121.1
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