CID 19773253

Alpha -ethynylagmatine

Structural Information

Molecular Formula

C₇H₁₄N₄

SMILES

C#CC(CCCN=C(N)N)N

InChI

InChI=1S/C7H14N4/c1-2-6(8)4-3-5-11-7(9)10/h1,6H,3-5,8H2,(H4,9,10,11)

InChIKey

VPTPVJMIJOZPON-UHFFFAOYSA-N

Compound name

2-(4-aminohex-5-ynyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 154.12184 Da
Monoisotopic Mass: -1.4
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]+	155.12912	141.1
[M+Na]+	177.11106	146.7
[M+NH4]+	172.15566	143.9
[M+K]+	193.08500	140.0
[M-H]-	153.11456	133.8
[M+Na-2H]-	175.09651	140.1
[M]+	154.12129	138.4
[M]-	154.12239	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe