CID 12554629

2639417-78-8

Structural Information

Molecular Formula

C₇H₁₇N₃

SMILES

CC(C)N1CCN(CC1)N

InChI

InChI=1S/C7H17N3/c1-7(2)9-3-5-10(8)6-4-9/h7H,3-6,8H2,1-2H3

InChIKey

WHLOJVAAKSVMKB-UHFFFAOYSA-N

Compound name

4-propan-2-ylpiperazin-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 143.14224 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]+	144.149516	134.6
[M+Na]+	166.131458	139.7
[M-H]-	142.134964	134.3
[M+NH4]+	161.176063	152.9
[M+K]+	182.105398	138.8
[M+H-H2O]+	126.139500	127.4
[M+HCOO]-	188.140441	152.2
[M+CH3COO]-	202.156091	177.9
[M+Na-2H]-	164.116906	138.2
[M]+	143.14169142	128.5
[M]-	143.14278858	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe