CID 81531

7087-68-5

Structural Information

Molecular Formula

C₈H₁₉N

SMILES

CCN(C(C)C)C(C)C

InChI

InChI=1S/C8H19N/c1-6-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3

InChIKey

JGFZNNIVVJXRND-UHFFFAOYSA-N

Compound name

N-ethyl-N-propan-2-ylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 99
References: 49000
Patents: 129.15175 Da
Monoisotopic Mass: 2.2
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]+	130.15903	132.7
[M+Na]+	152.14097	138.0
[M-H]-	128.14447	134.3
[M+NH4]+	147.18557	155.3
[M+K]+	168.11491	139.6
[M+H-H2O]+	112.14901	127.7
[M+HCOO]-	174.14995	155.3
[M+CH3COO]-	188.16560	183.5
[M+Na-2H]-	150.12642	135.7
[M]+	129.15120	133.9
[M]-	129.15230	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe