CID 76199

4-tert-butyl-n,n-dimethylaniline

Structural Information

Molecular Formula
C12H19N
SMILES
CC(C)(C)C1=CC=C(C=C1)N(C)C
InChI
InChI=1S/C12H19N/c1-12(2,3)10-6-8-11(9-7-10)13(4)5/h6-9H,1-5H3
InChIKey
SJDILFZCXQHCRB-UHFFFAOYSA-N
Compound name
4-tert-butyl-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3070
Patents

177.15175 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.15903 140.6
[M+Na]+ 200.14097 147.7
[M-H]- 176.14447 146.0
[M+NH4]+ 195.18557 161.8
[M+K]+ 216.11491 146.9
[M+H-H2O]+ 160.14901 135.0
[M+HCOO]- 222.14995 164.3
[M+CH3COO]- 236.16560 189.6
[M+Na-2H]- 198.12642 146.9
[M]+ 177.15120 142.1
[M]- 177.15230 142.1
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