CID 43649883

1-[5-(trifluoromethyl)-1h-imidazol-2-yl]propan-1-amine hydrochloride

Structural Information

Molecular Formula
C7H10F3N3
SMILES
CCC(C1=NC=C(N1)C(F)(F)F)N
InChI
InChI=1S/C7H10F3N3/c1-2-4(11)6-12-3-5(13-6)7(8,9)10/h3-4H,2,11H2,1H3,(H,12,13)
InChIKey
QWADNMZUVUMYND-UHFFFAOYSA-N
Compound name
1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.08269 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08997 137.8
[M+Na]+ 216.07191 145.9
[M-H]- 192.07541 133.4
[M+NH4]+ 211.11651 155.3
[M+K]+ 232.04585 142.9
[M+H-H2O]+ 176.07995 128.7
[M+HCOO]- 238.08089 154.3
[M+CH3COO]- 252.09654 182.2
[M+Na-2H]- 214.05736 140.6
[M]+ 193.08214 130.7
[M]- 193.08324 130.7
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.