CID 45791470

3,5-di-tert-butyl-2-methoxyaniline

Structural Information

Molecular Formula
C15H25NO
SMILES
CC(C)(C)C1=CC(=C(C(=C1)N)OC)C(C)(C)C
InChI
InChI=1S/C15H25NO/c1-14(2,3)10-8-11(15(4,5)6)13(17-7)12(16)9-10/h8-9H,16H2,1-7H3
InChIKey
JPFIMHWMRKFKOW-UHFFFAOYSA-N
Compound name
3,5-ditert-butyl-2-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

235.19362 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.20090 157.5
[M+Na]+ 258.18284 165.4
[M-H]- 234.18634 161.4
[M+NH4]+ 253.22744 176.2
[M+K]+ 274.15678 163.3
[M+H-H2O]+ 218.19088 152.5
[M+HCOO]- 280.19182 177.6
[M+CH3COO]- 294.20747 198.8
[M+Na-2H]- 256.16829 161.4
[M]+ 235.19307 159.4
[M]- 235.19417 159.4
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