CID 65396

Schembl167131

Structural Information

Molecular Formula
C10H23N3O3
SMILES
C(CCNC[C@H](CCN)O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C10H23N3O3/c11-5-4-8(14)7-13-6-2-1-3-9(12)10(15)16/h8-9,13-14H,1-7,11-12H2,(H,15,16)/t8-,9-/m0/s1
InChIKey
BZUIJMCJNWUGKQ-IUCAKERBSA-N
Compound name
(2S)-2-amino-6-[[(2S)-4-amino-2-hydroxybutyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1859
Patents

233.17393 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.18121 157.4
[M+Na]+ 256.16315 158.9
[M-H]- 232.16665 152.9
[M+NH4]+ 251.20775 171.9
[M+K]+ 272.13709 157.6
[M+H-H2O]+ 216.17119 150.5
[M+HCOO]- 278.17213 176.4
[M+CH3COO]- 292.18778 196.2
[M+Na-2H]- 254.14860 155.9
[M]+ 233.17338 153.3
[M]- 233.17448 153.3
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