CID 469

2-aminohexanedioic acid

Structural Information

Molecular Formula
C6H11NO4
SMILES
C(CC(C(=O)O)N)CC(=O)O
InChI
InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)
InChIKey
OYIFNHCXNCRBQI-UHFFFAOYSA-N
Compound name
2-aminohexanedioic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

660
References

27334
Patents

161.0688 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.07608 134.4
[M+Na]+ 184.05802 139.6
[M-H]- 160.06152 131.3
[M+NH4]+ 179.10262 152.7
[M+K]+ 200.03196 139.2
[M+H-H2O]+ 144.06606 129.4
[M+HCOO]- 206.06700 153.8
[M+CH3COO]- 220.08265 175.2
[M+Na-2H]- 182.04347 135.6
[M]+ 161.06825 132.3
[M]- 161.06935 132.3
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