CID 17754073

Nz-(1-carboxyethyl)-lysine

Structural Information

Molecular Formula
C9H18N2O4
SMILES
C[C@H](C(=O)O)NCCCC[C@@H](C(=O)O)N
InChI
InChI=1S/C9H18N2O4/c1-6(8(12)13)11-5-3-2-4-7(10)9(14)15/h6-7,11H,2-5,10H2,1H3,(H,12,13)(H,14,15)/t6-,7+/m1/s1
InChIKey
XCYPSOHOIAZISD-RQJHMYQMSA-N
Compound name
(2S)-2-amino-6-[[(1R)-1-carboxyethyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

20
Patents

218.12666 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13394 151.9
[M+Na]+ 241.11588 154.7
[M-H]- 217.11938 148.3
[M+NH4]+ 236.16048 167.5
[M+K]+ 257.08982 154.3
[M+H-H2O]+ 201.12392 145.8
[M+HCOO]- 263.12486 170.4
[M+CH3COO]- 277.14051 190.6
[M+Na-2H]- 239.10133 150.5
[M]+ 218.12611 149.4
[M]- 218.12721 149.4
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