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]+ 248.125676 152.9
[M+Na]+ 270.107618 161.6
[M-H]- 246.111124 153.1
[M+NH4]+ 265.152223 170.8
[M+K]+ 286.081558 158.6
[M+H-H2O]+ 230.115660 144.6
[M+HCOO]- 292.116601 172.9
[M+CH3COO]- 306.132251 198.7
[M+Na-2H]- 268.093066 156.5
[M]+ 247.11785142 151.6
[M]- 247.11894858 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.