CID 343805

N-(2-tert-butylphenyl)acetamide

Structural Information

Molecular Formula
C12H17NO
SMILES
CC(=O)NC1=CC=CC=C1C(C)(C)C
InChI
InChI=1S/C12H17NO/c1-9(14)13-11-8-6-5-7-10(11)12(2,3)4/h5-8H,1-4H3,(H,13,14)
InChIKey
HNFBHUKCHBRSSD-UHFFFAOYSA-N
Compound name
N-(2-tert-butylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

191.13101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 143.7
[M+Na]+ 214.12023 150.6
[M-H]- 190.12373 147.6
[M+NH4]+ 209.16483 163.5
[M+K]+ 230.09417 148.8
[M+H-H2O]+ 174.12827 138.2
[M+HCOO]- 236.12921 166.3
[M+CH3COO]- 250.14486 187.3
[M+Na-2H]- 212.10568 149.4
[M]+ 191.13046 143.9
[M]- 191.13156 143.9
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