CID 78485

N-isopropylmethylamine

Structural Information

Molecular Formula

C₄H₁₁N

SMILES

CC(C)NC

InChI

InChI=1S/C4H11N/c1-4(2)5-3/h4-5H,1-3H3

InChIKey

XHFGWHUWQXTGAT-UHFFFAOYSA-N

Compound name

N-methylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 40422
Patents: 73.08915 Da
Monoisotopic Mass: 0.6
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]+	74.096426	114.2
[M+Na]+	96.078368	121.1
[M-H]-	72.081874	114.9
[M+NH4]+	91.122973	138.4
[M+K]+	112.05231	122.0
[M+H-H2O]+	56.086410	110.0
[M+HCOO]-	118.08735	138.6
[M+CH3COO]-	132.10300	166.8
[M+Na-2H]-	94.063816	121.3
[M]+	73.088601	113.2
[M]-	73.089699	113.2

Literature stripe

literature stripe

Patent stripe

patents stripe