CID 88098

N-isopropylethylenediamine

Structural Information

Molecular Formula

C₅H₁₄N₂

SMILES

CC(C)NCCN

InChI

InChI=1S/C5H14N2/c1-5(2)7-4-3-6/h5,7H,3-4,6H2,1-2H3

InChIKey

KDRUIMNNZBMLJR-UHFFFAOYSA-N

Compound name

N'-propan-2-ylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 2341
Patents: 102.1157 Da
Monoisotopic Mass: -0.3
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]+	103.12298	123.4
[M+Na]+	125.10492	129.1
[M-H]-	101.10842	123.3
[M+NH4]+	120.14952	145.8
[M+K]+	141.07886	129.1
[M+H-H2O]+	85.112960	118.4
[M+HCOO]-	147.11390	147.9
[M+CH3COO]-	161.12955	173.9
[M+Na-2H]-	123.09037	129.0
[M]+	102.11515	120.9
[M]-	102.11625	120.9

Literature stripe

literature stripe

Patent stripe

patents stripe