CID 21391945

2551157-14-1

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

CCC/C=C/CCN

InChI

InChI=1S/C7H15N/c1-2-3-4-5-6-7-8/h4-5H,2-3,6-8H2,1H3/b5-4+

InChIKey

UVFDZEUADUHSGG-SNAWJCMRSA-N

Compound name

(E)-hept-3-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 113.12045 Da
Monoisotopic Mass: 1.6
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]+	114.12773	126.5
[M+Na]+	136.10967	132.9
[M-H]-	112.11317	126.2
[M+NH4]+	131.15427	149.0
[M+K]+	152.08361	131.5
[M+H-H2O]+	96.117710	121.9
[M+HCOO]-	158.11865	150.6
[M+CH3COO]-	172.13430	172.7
[M+Na-2H]-	134.09512	132.3
[M]+	113.11990	125.6
[M]-	113.12100	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe