CID 16783170

953739-57-6

Structural Information

Molecular Formula

C₉H₂₁N₃

SMILES

CCC(CN)N1CCN(CC1)C

InChI

InChI=1S/C9H21N3/c1-3-9(8-10)12-6-4-11(2)5-7-12/h9H,3-8,10H2,1-2H3

InChIKey

IOUVVJBTUSNJTA-UHFFFAOYSA-N

Compound name

2-(4-methylpiperazin-1-yl)butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 171.17355 Da
Monoisotopic Mass: 0.1
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]+	172.18083	142.0
[M+Na]+	194.16277	151.1
[M+NH4]+	189.20737	149.5
[M+K]+	210.13671	145.7
[M-H]-	170.16627	143.0
[M+Na-2H]-	192.14822	145.7
[M]+	171.17300	143.2
[M]-	171.17410	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe