CID 4139391

N-(2,4,5-trimethylphenyl)acetamide

Structural Information

Molecular Formula
C11H15NO
SMILES
CC1=CC(=C(C=C1C)NC(=O)C)C
InChI
InChI=1S/C11H15NO/c1-7-5-9(3)11(6-8(7)2)12-10(4)13/h5-6H,1-4H3,(H,12,13)
InChIKey
SWNMYEWTIFFJIV-UHFFFAOYSA-N
Compound name
N-(2,4,5-trimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

177.11537 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 138.0
[M+Na]+ 200.10459 146.7
[M-H]- 176.10809 142.5
[M+NH4]+ 195.14919 158.8
[M+K]+ 216.07853 144.8
[M+H-H2O]+ 160.11263 132.6
[M+HCOO]- 222.11357 162.4
[M+CH3COO]- 236.12922 187.0
[M+Na-2H]- 198.09004 142.2
[M]+ 177.11482 139.1
[M]- 177.11592 139.1
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

patents stripe