CID 165368651

Gamma-l-glutamylcadaverine

Structural Information

Molecular Formula
C10H21N3O3
SMILES
C(CCN)CCNC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C10H21N3O3/c11-6-2-1-3-7-13-9(14)5-4-8(12)10(15)16/h8H,1-7,11-12H2,(H,13,14)(H,15,16)/t8-/m0/s1
InChIKey
PBMPYYMSXBOZFN-QMMMGPOBSA-N
Compound name
(2S)-2-amino-5-(5-aminopentylamino)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.1583 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16558 156.5
[M+Na]+ 254.14752 158.7
[M-H]- 230.15102 153.5
[M+NH4]+ 249.19212 171.8
[M+K]+ 270.12146 157.7
[M+H-H2O]+ 214.15556 149.5
[M+HCOO]- 276.15650 177.2
[M+CH3COO]- 290.17215 197.0
[M+Na-2H]- 252.13297 155.5
[M]+ 231.15775 153.5
[M]- 231.15885 153.5
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.