CID 129523

107240-29-9

Structural Information

Molecular Formula

C₆H₁₅FN₄

SMILES

C(CC(CF)N)CN=C(N)N

InChI

InChI=1S/C6H15FN4/c7-4-5(8)2-1-3-11-6(9)10/h5H,1-4,8H2,(H4,9,10,11)

InChIKey

SUJCPTTWZVYXRT-UHFFFAOYSA-N

Compound name

2-(4-amino-5-fluoropentyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 5
Patents: 162.12808 Da
Monoisotopic Mass: -1.1
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]+	163.135356	136.0
[M+Na]+	185.117298	140.1
[M-H]-	161.120804	134.6
[M+NH4]+	180.161903	155.1
[M+K]+	201.091238	139.6
[M+H-H2O]+	145.125340	128.4
[M+HCOO]-	207.126281	160.5
[M+CH3COO]-	221.141931	190.6
[M+Na-2H]-	183.102746	138.0
[M]+	162.12753142	129.5
[M]-	162.12862858	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe