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]+ 205.15468 149.5
[M+Na]+ 227.13662 152.5
[M-H]- 203.14012 145.7
[M+NH4]+ 222.18122 165.9
[M+K]+ 243.11056 151.1
[M+H-H2O]+ 187.14466 143.3
[M+HCOO]- 249.14560 169.5
[M+CH3COO]- 263.16125 187.3
[M+Na-2H]- 225.12207 150.6
[M]+ 204.14685 147.6
[M]- 204.14795 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.