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]+ 196.149606 143.9
[M+Na]+ 218.131548 151.7
[M-H]- 194.135054 146.6
[M+NH4]+ 213.176153 163.9
[M+K]+ 234.105488 149.1
[M+H-H2O]+ 178.139590 137.7
[M+HCOO]- 240.140531 165.9
[M+CH3COO]- 254.156181 189.9
[M+Na-2H]- 216.116996 149.5
[M]+ 195.14178142 143.2
[M]- 195.14287858 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.