CID 25202311

2,6-diamino-4-methylideneheptanedioic acid

Structural Information

Molecular Formula
C8H14N2O4
SMILES
C=C(CC(C(=O)O)N)CC(C(=O)O)N
InChI
InChI=1S/C8H14N2O4/c1-4(2-5(9)7(11)12)3-6(10)8(13)14/h5-6H,1-3,9-10H2,(H,11,12)(H,13,14)
InChIKey
XHOSYVGVHNEHGK-UHFFFAOYSA-N
Compound name
2,6-diamino-4-methylideneheptanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

202.09535 Da
Monoisotopic Mass

-5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.102626 146.8
[M+Na]+ 225.084568 150.1
[M-H]- 201.088074 142.9
[M+NH4]+ 220.129173 162.5
[M+K]+ 241.058508 149.6
[M+H-H2O]+ 185.092610 141.1
[M+HCOO]- 247.093551 164.1
[M+CH3COO]- 261.109201 187.3
[M+Na-2H]- 223.070016 143.5
[M]+ 202.09480142 141.6
[M]- 202.09589858 141.6
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

No patent data available for this compound.