CID 83155

2-tert-butyl-6-methylaniline

Structural Information

Molecular Formula
C11H17N
SMILES
CC1=C(C(=CC=C1)C(C)(C)C)N
InChI
InChI=1S/C11H17N/c1-8-6-5-7-9(10(8)12)11(2,3)4/h5-7H,12H2,1-4H3
InChIKey
GWIUAENVORNODL-UHFFFAOYSA-N
Compound name
2-tert-butyl-6-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

163
Patents

163.1361 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.14338 136.8
[M+Na]+ 186.12532 145.1
[M-H]- 162.12882 140.7
[M+NH4]+ 181.16992 158.0
[M+K]+ 202.09926 142.8
[M+H-H2O]+ 146.13336 131.9
[M+HCOO]- 208.13430 159.7
[M+CH3COO]- 222.14995 183.5
[M+Na-2H]- 184.11077 142.5
[M]+ 163.13555 136.0
[M]- 163.13665 136.0
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

patents stripe