CID 20383377

N''-cyclobutylguanidine

Structural Information

Molecular Formula

C₅H₁₁N₃

SMILES

C1CC(C1)N=C(N)N

InChI

InChI=1S/C5H11N3/c6-5(7)8-4-2-1-3-4/h4H,1-3H2,(H4,6,7,8)

InChIKey

BCKIKHQDFOWMJF-UHFFFAOYSA-N

Compound name

2-cyclobutylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 113.0953 Da
Monoisotopic Mass: -0.4
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]+	114.10258	126.3
[M+Na]+	136.08452	129.7
[M-H]-	112.08802	129.9
[M+NH4]+	131.12912	141.2
[M+K]+	152.05846	132.9
[M+H-H2O]+	96.092560	114.1
[M+HCOO]-	158.09350	150.6
[M+CH3COO]-	172.10915	180.7
[M+Na-2H]-	134.06997	130.8
[M]+	113.09475	128.8
[M]-	113.09585	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe