CID 1103

Spermine

Structural Information

Molecular Formula

C₁₀H₂₆N₄

SMILES

C(CCNCCCN)CNCCCN

InChI

InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2

InChIKey

PFNFFQXMRSDOHW-UHFFFAOYSA-N

Compound name

N,N'-bis(3-aminopropyl)butane-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 7829
References: 69636
Patents: 202.21574 Da
Monoisotopic Mass: -1.1
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]+	203.223016	148.7
[M+Na]+	225.204958	150.8
[M-H]-	201.208464	146.9
[M+NH4]+	220.249563	166.0
[M+K]+	241.178898	148.8
[M+H-H2O]+	185.213000	141.4
[M+HCOO]-	247.213941	173.9
[M+CH3COO]-	261.229591	198.1
[M+Na-2H]-	223.190406	152.6
[M]+	202.21519142	146.2
[M]-	202.21628858	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe