CID 43138670

[4-(tert-butoxy)-2-(trifluoromethyl)phenyl]methanamine

Structural Information

Molecular Formula
C12H16F3NO
SMILES
CC(C)(C)OC1=CC(=C(C=C1)CN)C(F)(F)F
InChI
InChI=1S/C12H16F3NO/c1-11(2,3)17-9-5-4-8(7-16)10(6-9)12(13,14)15/h4-6H,7,16H2,1-3H3
InChIKey
LJMNWNQABBSGBI-UHFFFAOYSA-N
Compound name
[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

247.1184 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.125676 153.7
[M+Na]+ 270.107618 162.0
[M-H]- 246.111124 153.3
[M+NH4]+ 265.152223 171.1
[M+K]+ 286.081558 159.1
[M+H-H2O]+ 230.115660 145.8
[M+HCOO]- 292.116601 171.5
[M+CH3COO]- 306.132251 196.7
[M+Na-2H]- 268.093066 157.7
[M]+ 247.11785142 150.3
[M]- 247.11894858 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.