CID 199683

Niosh/tm6125310

Structural Information

Molecular Formula

C₇H₁₅N₅

SMILES

C1CCN(CC1)C(=N)N=C(N)N

InChI

InChI=1S/C7H15N5/c8-6(9)11-7(10)12-4-2-1-3-5-12/h1-5H2,(H5,8,9,10,11)

InChIKey

AWRTYWUCRPIUMW-UHFFFAOYSA-N

Compound name

N-(diaminomethylidene)piperidine-1-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 49
Patents: 169.13275 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]+	170.140026	137.9
[M+Na]+	192.121968	140.5
[M-H]-	168.125474	139.7
[M+NH4]+	187.166573	155.4
[M+K]+	208.095908	139.7
[M+H-H2O]+	152.130010	130.1
[M+HCOO]-	214.130951	160.2
[M+CH3COO]-	228.146601	188.4
[M+Na-2H]-	190.107416	141.5
[M]+	169.13220142	127.3
[M]-	169.13329858	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe