CID 485618

(2,4,6-trimethylphenyl) pyrazine-2-carboxylate

Structural Information

Molecular Formula
C14H14N2O2
SMILES
CC1=CC(=C(C(=C1)C)OC(=O)C2=NC=CN=C2)C
InChI
InChI=1S/C14H14N2O2/c1-9-6-10(2)13(11(3)7-9)18-14(17)12-8-15-4-5-16-12/h4-8H,1-3H3
InChIKey
SNYBFXYVEDQDJK-UHFFFAOYSA-N
Compound name
(2,4,6-trimethylphenyl) pyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.10553 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11281 154.2
[M+Na]+ 265.09475 163.7
[M-H]- 241.09825 158.9
[M+NH4]+ 260.13935 169.3
[M+K]+ 281.06869 160.4
[M+H-H2O]+ 225.10279 145.4
[M+HCOO]- 287.10373 175.6
[M+CH3COO]- 301.11938 194.2
[M+Na-2H]- 263.08020 159.1
[M]+ 242.10498 156.9
[M]- 242.10608 156.9
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.