CID 62733597

1-(3-fluoropyridin-2-yl)-1,4-diazepane

Structural Information

Molecular Formula
C10H14FN3
SMILES
C1CNCCN(C1)C2=C(C=CC=N2)F
InChI
InChI=1S/C10H14FN3/c11-9-3-1-5-13-10(9)14-7-2-4-12-6-8-14/h1,3,5,12H,2,4,6-8H2
InChIKey
DSIYBRLDYNHRPK-UHFFFAOYSA-N
Compound name
1-(3-fluoro-2-pyridinyl)-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.11717 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.124446 139.1
[M+Na]+ 218.106388 143.7
[M-H]- 194.109894 139.5
[M+NH4]+ 213.150993 152.3
[M+K]+ 234.080328 144.0
[M+H-H2O]+ 178.114430 128.7
[M+HCOO]- 240.115371 153.6
[M+CH3COO]- 254.131021 148.9
[M+Na-2H]- 216.091836 144.3
[M]+ 195.11662142 128.9
[M]- 195.11771858 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

No patent data available for this compound.