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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.