CID 124506

5,6-heptadiene-1,4-diamine

Structural Information

Molecular Formula

C₇H₁₄N₂

SMILES

C=C=CC(CCCN)N

InChI

InChI=1S/C7H14N2/c1-2-4-7(9)5-3-6-8/h4,7H,1,3,5-6,8-9H2

InChIKey

IVKPIPYMJKZNMP-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 31
Patents: 126.1157 Da
Monoisotopic Mass: -0.7
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]+	127.12298	130.3
[M+Na]+	149.10492	135.8
[M-H]-	125.10842	129.4
[M+NH4]+	144.14952	151.3
[M+K]+	165.07886	133.7
[M+H-H2O]+	109.11296	125.1
[M+HCOO]-	171.11390	153.8
[M+CH3COO]-	185.12955	176.8
[M+Na-2H]-	147.09037	133.7
[M]+	126.11515	126.0
[M]-	126.11625	126.0

Literature stripe

literature stripe

Patent stripe

patents stripe