CID 10080329

193074-89-4

Structural Information

Molecular Formula

C₄H₇N₃

SMILES

C#CCN=C(N)N

InChI

InChI=1S/C4H7N3/c1-2-3-7-4(5)6/h1H,3H2,(H4,5,6,7)

InChIKey

NORYYEBGVCUVJI-UHFFFAOYSA-N

Compound name

2-prop-2-ynylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
Patents: 97.063995 Da
Monoisotopic Mass: -1.0
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]+	98.071271	121.9
[M+Na]+	120.05321	129.9
[M-H]-	96.056719	121.9
[M+NH4]+	115.09782	141.7
[M+K]+	136.02715	129.4
[M+H-H2O]+	80.061255	110.5
[M+HCOO]-	142.06220	142.5
[M+CH3COO]-	156.07785	183.4
[M+Na-2H]-	118.03866	126.5
[M]+	97.063446	112.7
[M]-	97.064544	112.7

Literature stripe

literature stripe

Patent stripe

patents stripe