CID 7020168

Schembl10195677

Structural Information

Molecular Formula
C6H12N2O2
SMILES
C(/C=C/CN)[C@@H](C(=O)O)N
InChI
InChI=1S/C6H12N2O2/c7-4-2-1-3-5(8)6(9)10/h1-2,5H,3-4,7-8H2,(H,9,10)/b2-1+/t5-/m0/s1
InChIKey
XDEFUBWPXAOAME-WYPBCBNTSA-N
Compound name
(E,2S)-2,6-diaminohex-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

144.08987 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.097146 132.6
[M+Na]+ 167.079088 137.8
[M-H]- 143.082594 130.4
[M+NH4]+ 162.123693 152.0
[M+K]+ 183.053028 136.5
[M+H-H2O]+ 127.087130 127.3
[M+HCOO]- 189.088071 154.5
[M+CH3COO]- 203.103721 176.4
[M+Na-2H]- 165.064536 134.7
[M]+ 144.08932142 128.2
[M]- 144.09041858 128.2
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