CID 17754054

Lysine nz-carboxylic acid

Structural Information

Molecular Formula
C7H14N2O4
SMILES
C(CCNC(=O)O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C7H14N2O4/c8-5(6(10)11)3-1-2-4-9-7(12)13/h5,9H,1-4,8H2,(H,10,11)(H,12,13)/t5-/m0/s1
InChIKey
PWIKLEYMFKCERQ-YFKPBYRVSA-N
Compound name
(2S)-2-amino-6-(carboxyamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

190.09535 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10263 142.5
[M+Na]+ 213.08457 146.4
[M-H]- 189.08807 139.2
[M+NH4]+ 208.12917 159.3
[M+K]+ 229.05851 146.0
[M+H-H2O]+ 173.09261 136.7
[M+HCOO]- 235.09355 162.6
[M+CH3COO]- 249.10920 182.9
[M+Na-2H]- 211.07002 143.4
[M]+ 190.09480 139.9
[M]- 190.09590 139.9
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