CID 13658894

(3e)-hexa-3,5-dien-1-amine hydrochloride

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

C=C/C=C/CCN

InChI

InChI=1S/C6H11N/c1-2-3-4-5-6-7/h2-4H,1,5-7H2/b4-3+

InChIKey

ODMTXWUFQDEXBS-ONEGZZNKSA-N

Compound name

(3E)-hexa-3,5-dien-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 97.08915 Da
Monoisotopic Mass: 1.0
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]+	98.096426	120.4
[M+Na]+	120.07837	127.5
[M-H]-	96.081874	120.3
[M+NH4]+	115.12297	143.4
[M+K]+	136.05231	125.7
[M+H-H2O]+	80.086410	116.1
[M+HCOO]-	142.08735	145.0
[M+CH3COO]-	156.10300	168.7
[M+Na-2H]-	118.06382	126.8
[M]+	97.088601	118.4
[M]-	97.089699	118.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe