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

14
Patents

156.08743 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.09471 129.8
[M+Na]+ 179.07665 136.5
[M-H]- 155.08015 127.2
[M+NH4]+ 174.12125 150.6
[M+K]+ 195.05059 136.6
[M+H-H2O]+ 139.08469 122.2
[M+HCOO]- 201.08563 151.1
[M+CH3COO]- 215.10128 184.6
[M+Na-2H]- 177.06210 134.8
[M]+ 156.08688 124.9
[M]- 156.08798 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