CID 566539

N-tert-butylallylamine

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

CC(C)(C)NCC=C

InChI

InChI=1S/C7H15N/c1-5-6-8-7(2,3)4/h5,8H,1,6H2,2-4H3

InChIKey

MDFOQCKFSUMLET-UHFFFAOYSA-N

Compound name

2-methyl-N-prop-2-enylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 332
Patents: 113.12045 Da
Monoisotopic Mass: 1.4
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	126.0
[M+Na]+	136.10967	132.8
[M-H]-	112.11317	126.5
[M+NH4]+	131.15427	148.9
[M+K]+	152.08361	132.2
[M+H-H2O]+	96.117710	122.0
[M+HCOO]-	158.11865	149.2
[M+CH3COO]-	172.13430	173.7
[M+Na-2H]-	134.09512	133.4
[M]+	113.11990	125.6
[M]-	113.12100	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe