CID 12665984

116577-09-4

Structural Information

Molecular Formula

C₅H₁₄N₂

SMILES

CC(C)(CN)NC

InChI

InChI=1S/C5H14N2/c1-5(2,4-6)7-3/h7H,4,6H2,1-3H3

InChIKey

UWYSRQHOWXXYMN-UHFFFAOYSA-N

Compound name

2-N,2-dimethylpropane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 136
Patents: 102.1157 Da
Monoisotopic Mass: -0.5
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	122.6
[M+Na]+	125.10492	129.0
[M-H]-	101.10842	122.7
[M+NH4]+	120.14952	145.2
[M+K]+	141.07886	129.0
[M+H-H2O]+	85.112960	118.3
[M+HCOO]-	147.11390	146.5
[M+CH3COO]-	161.12955	173.4
[M+Na-2H]-	123.09037	130.1
[M]+	102.11515	120.3
[M]-	102.11625	120.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe