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

84
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.