CID 70452

N,n-dimethylisopropylamine

Structural Information

Molecular Formula

C₅H₁₃N

SMILES

CC(C)N(C)C

InChI

InChI=1S/C5H13N/c1-5(2)6(3)4/h5H,1-4H3

InChIKey

VMOWKUTXPNPTEN-UHFFFAOYSA-N

Compound name

N,N-dimethylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 11410
Patents: 87.1048 Da
Monoisotopic Mass: 1.1
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]+	88.112076	118.3
[M+Na]+	110.094018	125.0
[M-H]-	86.097524	120.4
[M+NH4]+	105.138623	142.7
[M+K]+	126.067958	127.0
[M+H-H2O]+	70.102060	113.8
[M+HCOO]-	132.103001	142.9
[M+CH3COO]-	146.118651	173.5
[M+Na-2H]-	108.079466	124.2
[M]+	87.10425142	119.0
[M]-	87.10534858	119.0

Literature stripe

literature stripe

Patent stripe

patents stripe