CID 76200

4-tert-butyl-2-methylaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

163.1361 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.143376 136.8
[M+Na]+ 186.125318 145.1
[M-H]- 162.128824 140.7
[M+NH4]+ 181.169923 158.0
[M+K]+ 202.099258 142.8
[M+H-H2O]+ 146.133360 131.9
[M+HCOO]- 208.134301 159.7
[M+CH3COO]- 222.149951 183.5
[M+Na-2H]- 184.110766 142.5
[M]+ 163.13555142 136.0
[M]- 163.13664858 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

No literature data available for this compound.

Patent stripe

patents stripe