CID 324555

2-amino-4,6-di-tert-butylphenol

Structural Information

Molecular Formula
C14H23NO
SMILES
CC(C)(C)C1=CC(=C(C(=C1)N)O)C(C)(C)C
InChI
InChI=1S/C14H23NO/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,16H,15H2,1-6H3
InChIKey
IVVMNEWWVJXCLX-UHFFFAOYSA-N
Compound name
2-amino-4,6-ditert-butylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

296
Patents

221.17796 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.18524 153.6
[M+Na]+ 244.16718 161.5
[M-H]- 220.17068 156.2
[M+NH4]+ 239.21178 172.1
[M+K]+ 260.14112 158.7
[M+H-H2O]+ 204.17522 149.1
[M+HCOO]- 266.17616 172.5
[M+CH3COO]- 280.19181 193.2
[M+Na-2H]- 242.15263 157.4
[M]+ 221.17741 153.2
[M]- 221.17851 153.2
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