CID 7912

Diisopropylamine

Structural Information

Molecular Formula

C₆H₁₅N

SMILES

CC(C)NC(C)C

InChI

InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3

InChIKey

UAOMVDZJSHZZME-UHFFFAOYSA-N

Compound name

N-propan-2-ylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 243
References: 119298
Patents: 101.12045 Da
Monoisotopic Mass: 1.4
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]+	102.12773	124.0
[M+Na]+	124.10967	129.9
[M-H]-	100.11317	124.4
[M+NH4]+	119.15427	147.1
[M+K]+	140.08361	130.6
[M+H-H2O]+	84.117710	119.5
[M+HCOO]-	146.11865	146.7
[M+CH3COO]-	160.13430	173.7
[M+Na-2H]-	122.09512	128.7
[M]+	101.11990	123.1
[M]-	101.12100	123.1

Literature stripe

literature stripe

Patent stripe

patents stripe