CID 82558903

3-(2-(trifluoromethyl)-1h-imidazol-1-yl)propan-1-amine

Structural Information

Molecular Formula
C7H10F3N3
SMILES
C1=CN(C(=N1)C(F)(F)F)CCCN
InChI
InChI=1S/C7H10F3N3/c8-7(9,10)6-12-3-5-13(6)4-1-2-11/h3,5H,1-2,4,11H2
InChIKey
KUXCFMTVAYZKRE-UHFFFAOYSA-N
Compound name
3-[2-(trifluoromethyl)imidazol-1-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.08269 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08997 137.1
[M+Na]+ 216.07191 145.9
[M-H]- 192.07541 133.8
[M+NH4]+ 211.11651 155.3
[M+K]+ 232.04585 143.2
[M+H-H2O]+ 176.07995 127.6
[M+HCOO]- 238.08089 156.0
[M+CH3COO]- 252.09654 184.0
[M+Na-2H]- 214.05736 141.5
[M]+ 193.08214 132.4
[M]- 193.08324 132.4
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.