CID 138040806

1638434-67-9

Structural Information

Molecular Formula
C6H10F3N3
SMILES
C1CN(C(=N1)C(F)(F)F)CCN
InChI
InChI=1S/C6H10F3N3/c7-6(8,9)5-11-2-4-12(5)3-1-10/h1-4,10H2
InChIKey
QZCKONJRWOJSQI-UHFFFAOYSA-N
Compound name
2-[2-(trifluoromethyl)-4,5-dihydroimidazol-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.08269 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08997 134.4
[M+Na]+ 204.07191 142.6
[M-H]- 180.07541 131.0
[M+NH4]+ 199.11651 153.1
[M+K]+ 220.04585 140.5
[M+H-H2O]+ 164.07995 125.1
[M+HCOO]- 226.08089 152.2
[M+CH3COO]- 240.09654 181.3
[M+Na-2H]- 202.05736 138.4
[M]+ 181.08214 128.0
[M]- 181.08324 128.0
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.