CID 4097830

Pentanimidamide

Structural Information

Molecular Formula

C₅H₁₂N₂

SMILES

CCCCC(=N)N

InChI

InChI=1S/C5H12N2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H3,6,7)

InChIKey

LPXCHPSTROLSJX-UHFFFAOYSA-N

Compound name

pentanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1097
Patents: 100.10005 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]+	101.107326	122.0
[M+Na]+	123.089268	128.0
[M-H]-	99.092774	121.9
[M+NH4]+	118.133873	144.4
[M+K]+	139.063208	127.4
[M+H-H2O]+	83.097310	117.1
[M+HCOO]-	145.098251	146.6
[M+CH3COO]-	159.113901	173.0
[M+Na-2H]-	121.074716	127.6
[M]+	100.09950142	118.8
[M]-	100.10059858	118.8

Literature stripe

literature stripe

Patent stripe

patents stripe