CID 129523

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

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

6
Patents

162.12808 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.13536 136.0
[M+Na]+ 185.11730 140.1
[M-H]- 161.12080 134.6
[M+NH4]+ 180.16190 155.1
[M+K]+ 201.09124 139.6
[M+H-H2O]+ 145.12534 128.4
[M+HCOO]- 207.12628 160.5
[M+CH3COO]- 221.14193 190.6
[M+Na-2H]- 183.10275 138.0
[M]+ 162.12753 129.5
[M]- 162.12863 129.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe