CID 5356919

Schembl10040339

Structural Information

Molecular Formula

C₄H₁₀N₄

SMILES

CC/C=N/N=C(N)N

InChI

InChI=1S/C4H10N4/c1-2-3-7-8-4(5)6/h3H,2H2,1H3,(H4,5,6,8)/b7-3+

InChIKey

PDLUEZCGOCZWDX-XVNBXDOJSA-N

Compound name

2-[(E)-propylideneamino]guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 114.090546 Da
Monoisotopic Mass: -0.7
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]+	115.09782	122.5
[M+Na]+	137.07976	128.5
[M-H]-	113.08327	124.9
[M+NH4]+	132.12437	144.7
[M+K]+	153.05370	129.1
[M+H-H2O]+	97.087806	116.3
[M+HCOO]-	159.08875	152.0
[M+CH3COO]-	173.10440	182.4
[M+Na-2H]-	135.06521	129.1
[M]+	114.09000	119.3
[M]-	114.09109	119.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.