CID 80695799

1427012-85-8

Structural Information

Molecular Formula
C6H10FN3
SMILES
C1=C(C=NN1CCF)CN
InChI
InChI=1S/C6H10FN3/c7-1-2-10-5-6(3-8)4-9-10/h4-5H,1-3,8H2
InChIKey
WULTURUTIQJKKW-UHFFFAOYSA-N
Compound name
[1-(2-fluoroethyl)pyrazol-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.08588 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.09316 126.9
[M+Na]+ 166.07510 135.6
[M-H]- 142.07860 126.2
[M+NH4]+ 161.11970 147.1
[M+K]+ 182.04904 133.7
[M+H-H2O]+ 126.08314 118.8
[M+HCOO]- 188.08408 149.9
[M+CH3COO]- 202.09973 175.7
[M+Na-2H]- 164.06055 132.3
[M]+ 143.08533 124.9
[M]- 143.08643 124.9
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.