CID 458358

Alpha-(3-ethynylmesityl)acetamide

Structural Information

Molecular Formula
C13H15NO
SMILES
CC1=CC(=C(C(=C1CC(=O)N)C)C#C)C
InChI
InChI=1S/C13H15NO/c1-5-11-8(2)6-9(3)12(10(11)4)7-13(14)15/h1,6H,7H2,2-4H3,(H2,14,15)
InChIKey
HYKFSVCCUOSVSW-UHFFFAOYSA-N
Compound name
2-(3-ethynyl-2,4,6-trimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.11537 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.122646 147.0
[M+Na]+ 224.104588 158.0
[M-H]- 200.108094 149.6
[M+NH4]+ 219.149193 164.4
[M+K]+ 240.078528 153.8
[M+H-H2O]+ 184.112630 135.8
[M+HCOO]- 246.113571 164.4
[M+CH3COO]- 260.129221 199.6
[M+Na-2H]- 222.090036 147.6
[M]+ 201.11482142 142.1
[M]- 201.11591858 142.1
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

No patent data available for this compound.