CID 11731

1,2-dimethylpropylamine

Structural Information

Molecular Formula

C₅H₁₃N

SMILES

CC(C)C(C)N

InChI

InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3

InChIKey

JOZZAIIGWFLONA-UHFFFAOYSA-N

Compound name

3-methylbutan-2-amine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 9742
Patents: 87.1048 Da
Monoisotopic Mass: 1.0
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	119.8
[M+Na]+	110.09402	126.2
[M-H]-	86.097524	119.9
[M+NH4]+	105.13862	143.2
[M+K]+	126.06796	126.8
[M+H-H2O]+	70.102060	115.6
[M+HCOO]-	132.10300	142.3
[M+CH3COO]-	146.11865	170.0
[M+Na-2H]-	108.07947	124.0
[M]+	87.104251	117.5
[M]-	87.105349	117.5

Literature stripe

literature stripe

Patent stripe

patents stripe