CID 246686

2,4,6-trimethylbenzamide

Structural Information

Molecular Formula
C10H13NO
SMILES
CC1=CC(=C(C(=C1)C)C(=O)N)C
InChI
InChI=1S/C10H13NO/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H2,11,12)
InChIKey
QQAUZRKAWHZNCH-UHFFFAOYSA-N
Compound name
2,4,6-trimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

211
Patents

163.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 133.9
[M+Na]+ 186.08894 142.9
[M-H]- 162.09244 138.0
[M+NH4]+ 181.13354 154.9
[M+K]+ 202.06288 140.9
[M+H-H2O]+ 146.09698 128.7
[M+HCOO]- 208.09792 158.0
[M+CH3COO]- 222.11357 184.0
[M+Na-2H]- 184.07439 137.5
[M]+ 163.09917 133.7
[M]- 163.10027 133.7
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