CID 57986218

1-(5-fluoropyridin-2-yl)-1,4-diazepane

Structural Information

Molecular Formula
C10H14FN3
SMILES
C1CNCCN(C1)C2=NC=C(C=C2)F
InChI
InChI=1S/C10H14FN3/c11-9-2-3-10(13-8-9)14-6-1-4-12-5-7-14/h2-3,8,12H,1,4-7H2
InChIKey
FUGBLZXIHIQYMV-UHFFFAOYSA-N
Compound name
1-(5-fluoropyridin-2-yl)-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

195.11717 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.12445 139.1
[M+Na]+ 218.10639 143.7
[M-H]- 194.10989 139.5
[M+NH4]+ 213.15099 152.3
[M+K]+ 234.08033 144.0
[M+H-H2O]+ 178.11443 128.7
[M+HCOO]- 240.11537 153.6
[M+CH3COO]- 254.13102 148.9
[M+Na-2H]- 216.09184 144.3
[M]+ 195.11662 128.9
[M]- 195.11772 128.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe