CID 521913

6006-15-1

Structural Information

Molecular Formula

C₇H₁₇N

SMILES

CCN(CC)C(C)C

InChI

InChI=1S/C7H17N/c1-5-8(6-2)7(3)4/h7H,5-6H2,1-4H3

InChIKey

ULWOJODHECIZAU-UHFFFAOYSA-N

Compound name

N,N-diethylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 10829
Patents: 115.1361 Da
Monoisotopic Mass: 1.8
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]+	116.143376	127.8
[M+Na]+	138.125318	133.7
[M-H]-	114.128824	129.5
[M+NH4]+	133.169923	151.1
[M+K]+	154.099258	135.1
[M+H-H2O]+	98.133360	122.9
[M+HCOO]-	160.134301	151.8
[M+CH3COO]-	174.149951	179.6
[M+Na-2H]-	136.110766	132.6
[M]+	115.13555142	129.3
[M]-	115.13664858	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe