CID 36054

Guanazodine

Structural Information

Molecular Formula

C₉H₂₀N₄

SMILES

C1CCCNC(CC1)CN=C(N)N

InChI

InChI=1S/C9H20N4/c10-9(11)13-7-8-5-3-1-2-4-6-12-8/h8,12H,1-7H2,(H4,10,11,13)

InChIKey

ZCVAIGPGEINFCX-UHFFFAOYSA-N

Compound name

2-(azocan-2-ylmethyl)guanidine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 982
Patents: 184.1688 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]+	185.176076	145.2
[M+Na]+	207.158018	148.1
[M-H]-	183.161524	145.7
[M+NH4]+	202.202623	152.9
[M+K]+	223.131958	148.5
[M+H-H2O]+	167.166060	141.1
[M+HCOO]-	229.167001	154.2
[M+CH3COO]-	243.182651	224.2
[M+Na-2H]-	205.143466	145.3
[M]+	184.16825142	140.7
[M]-	184.16934858	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe