CID 70982

2-amino-4-tert-butylphenol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

11
References

737
Patents

165.11537 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.122646 136.5
[M+Na]+ 188.104588 144.6
[M-H]- 164.108094 139.0
[M+NH4]+ 183.149193 156.7
[M+K]+ 204.078528 142.2
[M+H-H2O]+ 148.112630 131.7
[M+HCOO]- 210.113571 158.3
[M+CH3COO]- 224.129221 179.9
[M+Na-2H]- 186.090036 142.1
[M]+ 165.11482142 134.8
[M]- 165.11591858 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