CID 87151576

4-chloro-l-lysinium

Structural Information

Molecular Formula
C6H13ClN2O2
SMILES
C(CN)C(C[C@@H](C(=O)O)N)Cl
InChI
InChI=1S/C6H13ClN2O2/c7-4(1-2-8)3-5(9)6(10)11/h4-5H,1-3,8-9H2,(H,10,11)/t4?,5-/m0/s1
InChIKey
RARMVOFXKPZWMG-AKGZTFGVSA-N
Compound name
(2S)-2,6-diamino-4-chlorohexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

180.06656 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.07384 139.7
[M+Na]+ 203.05578 145.1
[M-H]- 179.05928 137.5
[M+NH4]+ 198.10038 158.5
[M+K]+ 219.02972 142.7
[M+H-H2O]+ 163.06382 135.5
[M+HCOO]- 225.06476 156.0
[M+CH3COO]- 239.08041 182.7
[M+Na-2H]- 201.04123 140.1
[M]+ 180.06601 137.4
[M]- 180.06711 137.4
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