CID 126971008

5-(3,3-difluoropyrrolidin-1-yl)pyridin-2-amine

Structural Information

Molecular Formula
C9H11F2N3
SMILES
C1CN(CC1(F)F)C2=CN=C(C=C2)N
InChI
InChI=1S/C9H11F2N3/c10-9(11)3-4-14(6-9)7-1-2-8(12)13-5-7/h1-2,5H,3-4,6H2,(H2,12,13)
InChIKey
DRRNXQCEATWZML-UHFFFAOYSA-N
Compound name
5-(3,3-difluoropyrrolidin-1-yl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.0921 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.09938 138.6
[M+Na]+ 222.08132 147.4
[M-H]- 198.08482 140.0
[M+NH4]+ 217.12592 158.4
[M+K]+ 238.05526 144.0
[M+H-H2O]+ 182.08936 129.4
[M+HCOO]- 244.09030 158.4
[M+CH3COO]- 258.10595 150.9
[M+Na-2H]- 220.06677 142.8
[M]+ 199.09155 132.1
[M]- 199.09265 132.1
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.