CID 10354063

2-(aminomethyl)-3,5-ditert-butyl-phenol

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

23
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 159.3
[M+Na]+ 258.18284 170.0
[M+NH4]+ 253.22744 166.6
[M+K]+ 274.15678 165.0
[M-H]- 234.18634 160.5
[M+Na-2H]- 256.16829 163.9
[M]+ 235.19307 161.3
[M]- 235.19417 161.3
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