CID 641831

1416438-10-2

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

CC(C)(CC=C)CN

InChI

InChI=1S/C7H15N/c1-4-5-7(2,3)6-8/h4H,1,5-6,8H2,2-3H3

InChIKey

BTTIKHRJTKRJFR-UHFFFAOYSA-N

Compound name

2,2-dimethylpent-4-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 50
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	126.1
[M+Na]+	136.10967	135.7
[M+NH4]+	131.15427	134.2
[M+K]+	152.08361	130.2
[M-H]-	112.11317	126.0
[M+Na-2H]-	134.09512	130.0
[M]+	113.11990	127.2
[M]-	113.12100	127.2

Literature stripe

literature stripe

Patent stripe

patents stripe