CID 13290669

2-amino-1-(4-tert-butylphenyl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C12H17NO
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)CN
InChI
InChI=1S/C12H17NO/c1-12(2,3)10-6-4-9(5-7-10)11(14)8-13/h4-7H,8,13H2,1-3H3
InChIKey
UAEQOERWNWNIEY-UHFFFAOYSA-N
Compound name
2-amino-1-(4-tert-butylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 144.2
[M+Na]+ 214.120228 151.0
[M-H]- 190.123734 147.5
[M+NH4]+ 209.164833 163.6
[M+K]+ 230.094168 148.8
[M+H-H2O]+ 174.128270 138.7
[M+HCOO]- 236.129211 166.1
[M+CH3COO]- 250.144861 187.3
[M+Na-2H]- 212.105676 148.8
[M]+ 191.13046142 143.4
[M]- 191.13155858 143.4
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.