CID 43276667

{[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl}(methyl)amine

Structural Information

Molecular Formula
C12H16F3NO
SMILES
CC1=CC(=CC(=C1OCC(F)(F)F)C)CNC
InChI
InChI=1S/C12H16F3NO/c1-8-4-10(6-16-3)5-9(2)11(8)17-7-12(13,14)15/h4-5,16H,6-7H2,1-3H3
InChIKey
YVLIDZHXBCPNNJ-UHFFFAOYSA-N
Compound name
1-[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.1184 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12568 152.9
[M+Na]+ 270.10762 161.6
[M-H]- 246.11112 153.1
[M+NH4]+ 265.15222 170.8
[M+K]+ 286.08156 158.6
[M+H-H2O]+ 230.11566 144.6
[M+HCOO]- 292.11660 172.9
[M+CH3COO]- 306.13225 198.7
[M+Na-2H]- 268.09307 156.5
[M]+ 247.11785 151.6
[M]- 247.11895 151.6
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.