CID 350080

2,5-diaminohexanedioic acid

Structural Information

Molecular Formula
C6H12N2O4
SMILES
C(CC(C(=O)O)N)C(C(=O)O)N
InChI
InChI=1S/C6H12N2O4/c7-3(5(9)10)1-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
InChIKey
KLNKMGPJWOMQTJ-UHFFFAOYSA-N
Compound name
2,5-diaminohexanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

295
Patents

176.07971 Da
Monoisotopic Mass

-6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.08699 138.7
[M+Na]+ 199.06893 142.7
[M-H]- 175.07243 135.1
[M+NH4]+ 194.11353 155.6
[M+K]+ 215.04287 142.7
[M+H-H2O]+ 159.07697 133.1
[M+HCOO]- 221.07791 157.5
[M+CH3COO]- 235.09356 181.1
[M+Na-2H]- 197.05438 137.7
[M]+ 176.07916 134.0
[M]- 176.08026 134.0
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