CID 16773347

[2-(dimethylamino)ethyl]({[3-(trifluoromethyl)phenyl]methyl})amine

Structural Information

Molecular Formula
C12H17F3N2
SMILES
CN(C)CCNCC1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C12H17F3N2/c1-17(2)7-6-16-9-10-4-3-5-11(8-10)12(13,14)15/h3-5,8,16H,6-7,9H2,1-2H3
InChIKey
FYGSTEFVMGKXIF-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

246.13438 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14166 154.2
[M+Na]+ 269.12360 160.3
[M-H]- 245.12710 154.9
[M+NH4]+ 264.16820 171.7
[M+K]+ 285.09754 158.0
[M+H-H2O]+ 229.13164 144.8
[M+HCOO]- 291.13258 175.4
[M+CH3COO]- 305.14823 202.7
[M+Na-2H]- 267.10905 158.6
[M]+ 246.13383 151.1
[M]- 246.13493 151.1
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