CID 42625544

Nos f-18

Structural Information

Molecular Formula
C9H13FN2
SMILES
CC1=CC(=NC(=C1)N)CC(C)[18F]
InChI
InChI=1S/C9H13FN2/c1-6-3-8(5-7(2)10)12-9(11)4-6/h3-4,7H,5H2,1-2H3,(H2,11,12)/i10-1
InChIKey
MBHRCNFCHFHUKZ-LMANFOLPSA-N
Compound name
6-(2-(18F)fluoranylpropyl)-4-methylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

167.10881 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.11609 135.3
[M+Na]+ 190.09803 143.7
[M-H]- 166.10153 136.3
[M+NH4]+ 185.14263 154.5
[M+K]+ 206.07197 141.3
[M+H-H2O]+ 150.10607 128.1
[M+HCOO]- 212.10701 157.0
[M+CH3COO]- 226.12266 183.9
[M+Na-2H]- 188.08348 139.6
[M]+ 167.10826 133.0
[M]- 167.10936 133.0
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