CID 247145

44956-39-0

Structural Information

Molecular Formula

C₆H₁₆N₄

SMILES

CN(C)CCCN=C(N)N

InChI

InChI=1S/C6H16N4/c1-10(2)5-3-4-9-6(7)8/h3-5H2,1-2H3,(H4,7,8,9)

InChIKey

CPVHXMXPICPCIC-UHFFFAOYSA-N

Compound name

2-[3-(dimethylamino)propyl]guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 144.1375 Da
Monoisotopic Mass: -0.9
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]+	145.14478	134.0
[M+Na]+	167.12672	138.5
[M-H]-	143.13022	136.0
[M+NH4]+	162.17132	154.9
[M+K]+	183.10066	139.7
[M+H-H2O]+	127.13476	127.2
[M+HCOO]-	189.13570	161.6
[M+CH3COO]-	203.15135	191.0
[M+Na-2H]-	165.11217	138.1
[M]+	144.13695	131.6
[M]-	144.13805	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe