CID 160395

N(8)-aziridinylspermidine

Structural Information

Molecular Formula

C₉H₂₁N₃

SMILES

C1CN1CCCCNCCCN

InChI

InChI=1S/C9H21N3/c10-4-3-6-11-5-1-2-7-12-8-9-12/h11H,1-10H2

InChIKey

JVMUEYFSUCQOKO-UHFFFAOYSA-N

Compound name

N'-[4-(aziridin-1-yl)butyl]propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 171.17355 Da
Monoisotopic Mass: -0.3
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]+	172.18083	141.3
[M+Na]+	194.16277	147.8
[M-H]-	170.16627	143.4
[M+NH4]+	189.20737	154.9
[M+K]+	210.13671	144.4
[M+H-H2O]+	154.17081	133.8
[M+HCOO]-	216.17175	164.9
[M+CH3COO]-	230.18740	189.4
[M+Na-2H]-	192.14822	147.0
[M]+	171.17300	142.9
[M]-	171.17410	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe