CID 122083

Deoxyhypusine

Structural Information

Molecular Formula
C10H23N3O2
SMILES
C(CCNCCCCN)C[C@@H](C(=O)O)N
InChI
InChI=1S/C10H23N3O2/c11-6-2-4-8-13-7-3-1-5-9(12)10(14)15/h9,13H,1-8,11-12H2,(H,14,15)/t9-/m0/s1
InChIKey
PGPFBXMCOQNMJO-VIFPVBQESA-N
Compound name
(2S)-2-amino-6-(4-aminobutylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

83
References

419
Patents

217.17903 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.18631 153.3
[M+Na]+ 240.16825 157.3
[M+NH4]+ 235.21285 158.0
[M+K]+ 256.14219 154.1
[M-H]- 216.17175 151.7
[M+Na-2H]- 238.15370 153.0
[M]+ 217.17848 152.6
[M]- 217.17958 152.6
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