CID 69861

4-tert-butylaniline

Structural Information

Molecular Formula
C10H15N
SMILES
CC(C)(C)C1=CC=C(C=C1)N
InChI
InChI=1S/C10H15N/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,11H2,1-3H3
InChIKey
WRDWWAVNELMWAM-UHFFFAOYSA-N
Compound name
4-tert-butylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

6735
Patents

149.12045 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.127726 132.8
[M+Na]+ 172.109668 140.5
[M-H]- 148.113174 136.4
[M+NH4]+ 167.154273 154.1
[M+K]+ 188.083608 138.4
[M+H-H2O]+ 132.117710 127.8
[M+HCOO]- 194.118651 155.9
[M+CH3COO]- 208.134301 179.3
[M+Na-2H]- 170.095116 139.7
[M]+ 149.11990142 131.1
[M]- 149.12099858 131.1
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