CID 15329558

4-amino-2-(tert-butyl)phenol hydrochloride

Structural Information

Molecular Formula
C10H15NO
SMILES
CC(C)(C)C1=C(C=CC(=C1)N)O
InChI
InChI=1S/C10H15NO/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,12H,11H2,1-3H3
InChIKey
LJXDFLGENKUMOA-UHFFFAOYSA-N
Compound name
4-amino-2-tert-butylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

165.11537 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 136.5
[M+Na]+ 188.10459 144.6
[M-H]- 164.10809 139.0
[M+NH4]+ 183.14919 156.7
[M+K]+ 204.07853 142.2
[M+H-H2O]+ 148.11263 131.7
[M+HCOO]- 210.11357 158.3
[M+CH3COO]- 224.12922 179.9
[M+Na-2H]- 186.09004 142.1
[M]+ 165.11482 134.8
[M]- 165.11592 134.8
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