CID 304921

2-cyano-n-(2,4,6-trimethylphenyl)acetamide

Structural Information

Molecular Formula
C12H14N2O
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)CC#N)C
InChI
InChI=1S/C12H14N2O/c1-8-6-9(2)12(10(3)7-8)14-11(15)4-5-13/h6-7H,4H2,1-3H3,(H,14,15)
InChIKey
WFTLXUGEGQVHGM-UHFFFAOYSA-N
Compound name
2-cyano-N-(2,4,6-trimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

202.11061 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 147.2
[M+Na]+ 225.09983 157.2
[M-H]- 201.10333 150.9
[M+NH4]+ 220.14443 164.7
[M+K]+ 241.07377 154.2
[M+H-H2O]+ 185.10787 134.9
[M+HCOO]- 247.10881 167.5
[M+CH3COO]- 261.12446 202.5
[M+Na-2H]- 223.08528 150.3
[M]+ 202.11006 143.3
[M]- 202.11116 143.3
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