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]+ 128.070606 126.6
[M+Na]+ 150.052548 133.4
[M-H]- 126.056054 125.1
[M+NH4]+ 145.097153 147.5
[M+K]+ 166.026488 131.3
[M+H-H2O]+ 110.060590 122.1
[M+HCOO]- 172.061531 149.4
[M+CH3COO]- 186.077181 169.3
[M+Na-2H]- 148.037996 131.0
[M]+ 127.06278142 124.1
[M]- 127.06387858 124.1
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