CID 82023

N-tert-butylisopropylamine

Structural Information

Molecular Formula

C₇H₁₇N

SMILES

CC(C)NC(C)(C)C

InChI

InChI=1S/C7H17N/c1-6(2)8-7(3,4)5/h6,8H,1-5H3

InChIKey

ZWXQPERWRDHCMZ-UHFFFAOYSA-N

Compound name

2-methyl-N-propan-2-ylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2752
Patents: 115.1361 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]+	116.14338	127.4
[M+Na]+	138.12532	136.9
[M+NH4]+	133.16992	135.9
[M+K]+	154.09926	132.1
[M-H]-	114.12882	127.5
[M+Na-2H]-	136.11077	131.5
[M]+	115.13555	128.7
[M]-	115.13665	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe