CID 19616395

1006328-56-8

Structural Information

Molecular Formula
C7H10F3N3
SMILES
CC(CN1C=CC(=N1)C(F)(F)F)N
InChI
InChI=1S/C7H10F3N3/c1-5(11)4-13-3-2-6(12-13)7(8,9)10/h2-3,5H,4,11H2,1H3
InChIKey
AGCSKUQVZKYSRA-UHFFFAOYSA-N
Compound name
1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

193.08269 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08997 137.4
[M+Na]+ 216.07191 145.9
[M-H]- 192.07541 134.3
[M+NH4]+ 211.11651 155.6
[M+K]+ 232.04585 143.8
[M+H-H2O]+ 176.07995 128.1
[M+HCOO]- 238.08089 155.4
[M+CH3COO]- 252.09654 184.8
[M+Na-2H]- 214.05736 140.7
[M]+ 193.08214 132.1
[M]- 193.08324 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

patents stripe