CID 547370

N,n-diisopropylmethylamine

Structural Information

Molecular Formula

C₇H₁₇N

SMILES

CC(C)N(C)C(C)C

InChI

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

InChIKey

ISRXMEYARGEVIU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 5572
Patents: 115.1361 Da
Monoisotopic Mass: 1.9
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	127.9
[M+Na]+	138.125318	133.6
[M-H]-	114.128824	129.7
[M+NH4]+	133.169923	151.1
[M+K]+	154.099258	135.5
[M+H-H2O]+	98.133360	123.1
[M+HCOO]-	160.134301	150.9
[M+CH3COO]-	174.149951	180.5
[M+Na-2H]-	136.110766	131.4
[M]+	115.13555142	128.7
[M]-	115.13664858	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe