CID 138911151

N-(d-ribulosyl)-cadaverine

Structural Information

Molecular Formula
C10H22N2O4
SMILES
C(CCN)CCNCC(=O)[C@@H]([C@@H](CO)O)O
InChI
InChI=1S/C10H22N2O4/c11-4-2-1-3-5-12-6-8(14)10(16)9(15)7-13/h9-10,12-13,15-16H,1-7,11H2/t9-,10+/m1/s1
InChIKey
BZKXSLSRJJQPEX-ZJUUUORDSA-N
Compound name
(3R,4R)-1-(5-aminopentylamino)-3,4,5-trihydroxypentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.15796 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16524 157.2
[M+Na]+ 257.14718 159.0
[M-H]- 233.15068 151.8
[M+NH4]+ 252.19178 171.4
[M+K]+ 273.12112 157.6
[M+H-H2O]+ 217.15522 150.8
[M+HCOO]- 279.15616 174.5
[M+CH3COO]- 293.17181 191.2
[M+Na-2H]- 255.13263 156.0
[M]+ 234.15741 154.5
[M]- 234.15851 154.5
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.