CID 2724394

N(alpha)-acetyl-l-lysine methyl ester(1+)

Structural Information

Molecular Formula
C9H18N2O3
SMILES
CC(=O)N[C@@H](CCCCN)C(=O)OC
InChI
InChI=1S/C9H18N2O3/c1-7(12)11-8(9(13)14-2)5-3-4-6-10/h8H,3-6,10H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKey
HHOLXTXLQMKUGJ-QMMMGPOBSA-N
Compound name
methyl (2S)-2-acetamido-6-aminohexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

178
Patents

202.13174 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.13902 148.0
[M+Na]+ 225.12096 153.7
[M+NH4]+ 220.16556 153.0
[M+K]+ 241.09490 150.9
[M-H]- 201.12446 146.0
[M+Na-2H]- 223.10641 148.4
[M]+ 202.13119 147.5
[M]- 202.13229 147.5
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