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]+ 235.165236 157.2
[M+Na]+ 257.147178 159.0
[M-H]- 233.150684 151.8
[M+NH4]+ 252.191783 171.4
[M+K]+ 273.121118 157.6
[M+H-H2O]+ 217.155220 150.8
[M+HCOO]- 279.156161 174.5
[M+CH3COO]- 293.171811 191.2
[M+Na-2H]- 255.132626 156.0
[M]+ 234.15741142 154.5
[M]- 234.15850858 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.