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

4
Patents

202.09535 Da
Monoisotopic Mass

-5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.10263 146.8
[M+Na]+ 225.08457 150.1
[M-H]- 201.08807 142.9
[M+NH4]+ 220.12917 162.5
[M+K]+ 241.05851 149.6
[M+H-H2O]+ 185.09261 141.1
[M+HCOO]- 247.09355 164.1
[M+CH3COO]- 261.10920 187.3
[M+Na-2H]- 223.07002 143.5
[M]+ 202.09480 141.6
[M]- 202.09590 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.