CID 10354063

2-(aminomethyl)-3,5-ditert-butylphenol

Structural Information

Molecular Formula
C15H25NO
SMILES
CC(C)(C)C1=CC(=C(C(=C1)O)CN)C(C)(C)C
InChI
InChI=1S/C15H25NO/c1-14(2,3)10-7-12(15(4,5)6)11(9-16)13(17)8-10/h7-8,17H,9,16H2,1-6H3
InChIKey
ZUSLEOOZAITYGH-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-3,5-ditert-butylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

52
Patents

235.19362 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.20090 158.3
[M+Na]+ 258.18284 165.7
[M-H]- 234.18634 160.7
[M+NH4]+ 253.22744 176.2
[M+K]+ 274.15678 162.7
[M+H-H2O]+ 218.19088 153.5
[M+HCOO]- 280.19182 176.8
[M+CH3COO]- 294.20747 196.2
[M+Na-2H]- 256.16829 161.6
[M]+ 235.19307 158.2
[M]- 235.19417 158.2
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

No patent data available for this compound.