CID 43350785

(2-aminoethyl)(methyl)(2,2,2-trifluoroethyl)amine

Structural Information

Molecular Formula
C5H11F3N2
SMILES
CN(CCN)CC(F)(F)F
InChI
InChI=1S/C5H11F3N2/c1-10(3-2-9)4-5(6,7)8/h2-4,9H2,1H3
InChIKey
WAHLRBYXWZUOOP-UHFFFAOYSA-N
Compound name
N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

156.08743 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.094706 129.8
[M+Na]+ 179.076648 136.5
[M-H]- 155.080154 127.2
[M+NH4]+ 174.121253 150.6
[M+K]+ 195.050588 136.6
[M+H-H2O]+ 139.084690 122.2
[M+HCOO]- 201.085631 151.1
[M+CH3COO]- 215.101281 184.6
[M+Na-2H]- 177.062096 134.8
[M]+ 156.08688142 124.9
[M]- 156.08797858 124.9
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