CID 55284573

(2e,4e)-6-aminohexa-2,4-dienoic acid hydrochloride

Structural Information

Molecular Formula
C6H9NO2
SMILES
C(/C=C/C=C/C(=O)O)N
InChI
InChI=1S/C6H9NO2/c7-5-3-1-2-4-6(8)9/h1-4H,5,7H2,(H,8,9)/b3-1+,4-2+
InChIKey
QABSVNGMVHOAKF-ZPUQHVIOSA-N
Compound name
(2E,4E)-6-aminohexa-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

127.06333 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 127.3
[M+Na]+ 150.05255 135.6
[M+NH4]+ 145.09715 133.5
[M+K]+ 166.02649 131.1
[M-H]- 126.05605 125.4
[M+Na-2H]- 148.03800 129.3
[M]+ 127.06278 127.3
[M]- 127.06388 127.3
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

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