CID 7019830

113231-05-3

Structural Information

Molecular Formula
C10H18N2O6
SMILES
C(CCN)C[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C10H18N2O6/c11-4-2-1-3-7(10(17)18)12(5-8(13)14)6-9(15)16/h7H,1-6,11H2,(H,13,14)(H,15,16)(H,17,18)/t7-/m0/s1
InChIKey
SYFQYGMJENQVQT-ZETCQYMHSA-N
Compound name
(2S)-6-amino-2-[bis(carboxymethyl)amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

541
Patents

262.1165 Da
Monoisotopic Mass

-5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12378 159.2
[M+Na]+ 285.10572 161.3
[M-H]- 261.10922 155.4
[M+NH4]+ 280.15032 172.6
[M+K]+ 301.07966 162.0
[M+H-H2O]+ 245.11376 152.6
[M+HCOO]- 307.11470 177.0
[M+CH3COO]- 321.13035 198.3
[M+Na-2H]- 283.09117 156.4
[M]+ 262.11595 158.6
[M]- 262.11705 158.6
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

No patent data available for this compound.