CID 122445401

2097133-17-8

Structural Information

Molecular Formula
C10H11FN4
SMILES
C[C@@H](C1=CN=C(C=C1)N2C=C(C=N2)F)N
InChI
InChI=1S/C10H11FN4/c1-7(12)8-2-3-10(13-4-8)15-6-9(11)5-14-15/h2-7H,12H2,1H3/t7-/m0/s1
InChIKey
VOWGRXGCGYJWNO-ZETCQYMHSA-N
Compound name
(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

206.09677 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.104046 143.1
[M+Na]+ 229.085988 152.3
[M-H]- 205.089494 144.8
[M+NH4]+ 224.130593 159.4
[M+K]+ 245.059928 148.6
[M+H-H2O]+ 189.094030 133.4
[M+HCOO]- 251.094971 164.1
[M+CH3COO]- 265.110621 155.4
[M+Na-2H]- 227.071436 147.0
[M]+ 206.09622142 140.6
[M]- 206.09731858 140.6
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