CID 92014

4-tert-butylbenzamide

Structural Information

Molecular Formula
C11H15NO
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)N
InChI
InChI=1S/C11H15NO/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H2,12,13)
InChIKey
VIPMBJSGYWWHAO-UHFFFAOYSA-N
Compound name
4-tert-butylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

1226
Patents

177.11537 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.122646 139.5
[M+Na]+ 200.104588 146.7
[M-H]- 176.108094 143.0
[M+NH4]+ 195.149193 159.5
[M+K]+ 216.078528 144.8
[M+H-H2O]+ 160.112630 134.2
[M+HCOO]- 222.113571 161.7
[M+CH3COO]- 236.129221 184.3
[M+Na-2H]- 198.090036 144.6
[M]+ 177.11482142 138.3
[M]- 177.11591858 138.3
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