CID 111199

Ac-lys-nhme

Structural Information

Molecular Formula
C9H19N3O2
SMILES
CC(=O)N[C@@H](CCCCN)C(=O)NC
InChI
InChI=1S/C9H19N3O2/c1-7(13)12-8(9(14)11-2)5-3-4-6-10/h8H,3-6,10H2,1-2H3,(H,11,14)(H,12,13)/t8-/m0/s1
InChIKey
FECUPDBTEVPIIE-QMMMGPOBSA-N
Compound name
(2S)-2-acetamido-6-amino-N-methylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

35
Patents

201.14772 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.154996 149.8
[M+Na]+ 224.136938 153.1
[M-H]- 200.140444 149.1
[M+NH4]+ 219.181543 167.6
[M+K]+ 240.110878 153.0
[M+H-H2O]+ 184.144980 143.2
[M+HCOO]- 246.145921 172.9
[M+CH3COO]- 260.161571 194.0
[M+Na-2H]- 222.122386 150.9
[M]+ 201.14717142 148.0
[M]- 201.14826858 148.0
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