CID 5242234

N-tert-butyl-3,5-dimethylaniline

Structural Information

Molecular Formula
C12H19N
SMILES
CC1=CC(=CC(=C1)NC(C)(C)C)C
InChI
InChI=1S/C12H19N/c1-9-6-10(2)8-11(7-9)13-12(3,4)5/h6-8,13H,1-5H3
InChIKey
HMWHVIXDKZHDEO-UHFFFAOYSA-N
Compound name
N-tert-butyl-3,5-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

177.15175 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.159026 140.8
[M+Na]+ 200.140968 148.6
[M-H]- 176.144474 145.0
[M+NH4]+ 195.185573 161.7
[M+K]+ 216.114908 146.5
[M+H-H2O]+ 160.149010 135.7
[M+HCOO]- 222.149951 164.0
[M+CH3COO]- 236.165601 187.2
[M+Na-2H]- 198.126416 147.1
[M]+ 177.15120142 141.4
[M]- 177.15229858 141.4
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