CID 60985336

Tert-butyl[(3-fluoro-4-methylphenyl)methyl]amine

Structural Information

Molecular Formula
C12H18FN
SMILES
CC1=C(C=C(C=C1)CNC(C)(C)C)F
InChI
InChI=1S/C12H18FN/c1-9-5-6-10(7-11(9)13)8-14-12(2,3)4/h5-7,14H,8H2,1-4H3
InChIKey
JPWZBKOYAQLVRG-UHFFFAOYSA-N
Compound name
N-[(3-fluoro-4-methylphenyl)methyl]-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.14233 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.14961 143.9
[M+Na]+ 218.13155 151.7
[M-H]- 194.13505 146.6
[M+NH4]+ 213.17615 163.9
[M+K]+ 234.10549 149.1
[M+H-H2O]+ 178.13959 137.7
[M+HCOO]- 240.14053 165.9
[M+CH3COO]- 254.15618 189.9
[M+Na-2H]- 216.11700 149.5
[M]+ 195.14178 143.2
[M]- 195.14288 143.2
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.