CID 4026

99207-33-7

Structural Information

Molecular Formula

C₁₂H₂₀N₂

SMILES

C=C=CCNCCCCNCC=C=C

InChI

InChI=1S/C12H20N2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h5-6,13-14H,1-2,7-12H2

InChIKey

IKSQCMLJDHRWOA-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 89
References: 56
Patents: 192.16264 Da
Monoisotopic Mass: 0.6
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]+	193.16992	149.8
[M+Na]+	215.15186	157.7
[M+NH4]+	210.19646	156.0
[M+K]+	231.12580	149.8
[M-H]-	191.15536	149.6
[M+Na-2H]-	213.13731	152.2
[M]+	192.16209	150.3
[M]-	192.16319	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe