CID 119030855

1820579-84-7

Structural Information

Molecular Formula
C11H19FN4
SMILES
CNC[C@@H]1C[C@@H](CN1CC2=CN(N=C2)C)F
InChI
InChI=1S/C11H19FN4/c1-13-5-11-3-10(12)8-16(11)7-9-4-14-15(2)6-9/h4,6,10-11,13H,3,5,7-8H2,1-2H3/t10-,11-/m0/s1
InChIKey
FVLHUCNDNCEVRO-QWRGUYRKSA-N
Compound name
1-[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.15938 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.16666 151.5
[M+Na]+ 249.14860 159.0
[M-H]- 225.15210 153.1
[M+NH4]+ 244.19320 169.2
[M+K]+ 265.12254 156.1
[M+H-H2O]+ 209.15664 141.8
[M+HCOO]- 271.15758 171.5
[M+CH3COO]- 285.17323 193.1
[M+Na-2H]- 247.13405 151.6
[M]+ 226.15883 149.2
[M]- 226.15993 149.2
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.