CID 121488177

Elapegademase-lvlr

Structural Information

Molecular Formula
C10H20N2O5
SMILES
COCCOC(=O)NCCCC[C@@H](C(=O)O)N
InChI
InChI=1S/C10H20N2O5/c1-16-6-7-17-10(15)12-5-3-2-4-8(11)9(13)14/h8H,2-7,11H2,1H3,(H,12,15)(H,13,14)/t8-/m0/s1
InChIKey
XNGDIOBPVDBNQH-QMMMGPOBSA-N
Compound name
(2S)-2-amino-6-(2-methoxyethoxycarbonylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

130
Patents

248.13722 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14450 157.8
[M+Na]+ 271.12644 160.8
[M-H]- 247.12994 155.4
[M+NH4]+ 266.17104 173.1
[M+K]+ 287.10038 161.1
[M+H-H2O]+ 231.13448 151.0
[M+HCOO]- 293.13542 178.7
[M+CH3COO]- 307.15107 195.8
[M+Na-2H]- 269.11189 158.0
[M]+ 248.13667 159.6
[M]- 248.13777 159.6
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