CID 138911159

N-(d-erythrulosyl)-cadaverine

Structural Information

Molecular Formula
C9H20N2O3
SMILES
C(CCN)CCNCC(=O)[C@@H](CO)O
InChI
InChI=1S/C9H20N2O3/c10-4-2-1-3-5-11-6-8(13)9(14)7-12/h9,11-12,14H,1-7,10H2/t9-/m1/s1
InChIKey
KPELHIULMZRUEN-SECBINFHSA-N
Compound name
(3R)-1-(5-aminopentylamino)-3,4-dihydroxybutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1474 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.154676 149.5
[M+Na]+ 227.136618 152.5
[M-H]- 203.140124 145.7
[M+NH4]+ 222.181223 165.9
[M+K]+ 243.110558 151.1
[M+H-H2O]+ 187.144660 143.3
[M+HCOO]- 249.145601 169.5
[M+CH3COO]- 263.161251 187.3
[M+Na-2H]- 225.122066 150.6
[M]+ 204.14685142 147.6
[M]- 204.14794858 147.6
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.