CID 119031270

2,2-difluoro-2-(4,5,6,7-tetrahydro-2h-indazol-3-yl)ethan-1-amine

Structural Information

Molecular Formula
C9H13F2N3
SMILES
C1CCC2=C(C1)C(=NN2)C(CN)(F)F
InChI
InChI=1S/C9H13F2N3/c10-9(11,5-12)8-6-3-1-2-4-7(6)13-14-8/h1-5,12H2,(H,13,14)
InChIKey
FTGXJLZMECITOC-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.10776 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.11504 142.3
[M+Na]+ 224.09698 149.2
[M-H]- 200.10048 139.2
[M+NH4]+ 219.14158 160.3
[M+K]+ 240.07092 145.1
[M+H-H2O]+ 184.10502 133.9
[M+HCOO]- 246.10596 157.2
[M+CH3COO]- 260.12161 183.3
[M+Na-2H]- 222.08243 146.9
[M]+ 201.10721 134.0
[M]- 201.10831 134.0
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.