CID 18608203

N2-(1-oxobutyl)-l-lysine

Structural Information

Molecular Formula
C10H20N2O3
SMILES
CCCC(=O)N[C@@H](CCCCN)C(=O)O
InChI
InChI=1S/C10H20N2O3/c1-2-5-9(13)12-8(10(14)15)6-3-4-7-11/h8H,2-7,11H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKey
VAWJDJJVJBQDHP-QMMMGPOBSA-N
Compound name
(2S)-6-amino-2-(butanoylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

117
Patents

216.1474 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.154676 153.5
[M+Na]+ 239.136618 156.7
[M-H]- 215.140124 151.1
[M+NH4]+ 234.181223 170.2
[M+K]+ 255.110558 155.8
[M+H-H2O]+ 199.144660 147.3
[M+HCOO]- 261.145601 173.9
[M+CH3COO]- 275.161251 192.1
[M+Na-2H]- 237.122066 153.4
[M]+ 216.14685142 152.5
[M]- 216.14794858 152.5
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