CID 16654923

N-(3-carboxypropanoyl)-n-hydroxyputrescine

Structural Information

Molecular Formula

C₈H₁₆N₂O₄

SMILES

C(CCN(C(=O)CCC(=O)O)O)CN

InChI

InChI=1S/C8H16N2O4/c9-5-1-2-6-10(14)7(11)3-4-8(12)13/h14H,1-6,9H2,(H,12,13)

InChIKey

HJMSTRBGVUJGAI-UHFFFAOYSA-N

Compound name

4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 18
Patents: 204.11101 Da
Monoisotopic Mass: -3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	205.11829	146.6
[M+Na]+	227.10023	150.5
[M-H]-	203.10373	144.5
[M+NH4]+	222.14483	163.6
[M+K]+	243.07417	150.7
[M+H-H2O]+	187.10827	140.4
[M+HCOO]-	249.10921	167.9
[M+CH3COO]-	263.12486	188.3
[M+Na-2H]-	225.08568	147.6
[M]+	204.11046	146.3
[M]-	204.11156	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe