CID 58015291

[(3s)-3-aminobutyl](methyl)aminedihydrochloride

Structural Information

Molecular Formula

C₅H₁₄N₂

SMILES

C[C@H](CCNC)N

InChI

InChI=1S/C5H14N2/c1-5(6)3-4-7-2/h5,7H,3-4,6H2,1-2H3/t5-/m1/s1

InChIKey

ZOKREBLWJYZZLL-RXMQYKEDSA-N

Compound name

(3R)-1-N-methylbutane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 102.1157 Da
Monoisotopic Mass: -0.4
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]+	103.12298	121.9
[M+Na]+	125.10492	130.4
[M+NH4]+	120.14952	130.1
[M+K]+	141.07886	125.6
[M-H]-	101.10842	122.7
[M+Na-2H]-	123.09037	125.8
[M]+	102.11515	123.0
[M]-	102.11625	123.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe