CID 93061

14752-92-2

Structural Information

Molecular Formula
C11H21N3O4
SMILES
CC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)OC
InChI
InChI=1S/C11H21N3O4/c1-8(15)13-7-10(16)14-9(11(17)18-2)5-3-4-6-12/h9H,3-7,12H2,1-2H3,(H,13,15)(H,14,16)/t9-/m0/s1
InChIKey
FIGKGJVUYAFLBI-VIFPVBQESA-N
Compound name
methyl (2S)-2-[(2-acetamidoacetyl)amino]-6-aminohexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

89
Patents

259.1532 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16048 162.8
[M+Na]+ 282.14242 165.2
[M-H]- 258.14592 161.8
[M+NH4]+ 277.18702 178.0
[M+K]+ 298.11636 165.7
[M+H-H2O]+ 242.15046 155.6
[M+HCOO]- 304.15140 184.9
[M+CH3COO]- 318.16705 203.8
[M+Na-2H]- 280.12787 161.9
[M]+ 259.15265 163.2
[M]- 259.15375 163.2
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