CID 465062

Decyl 5-fluoropyrazine-2-carboxylate

Structural Information

Molecular Formula
C15H23FN2O2
SMILES
CCCCCCCCCCOC(=O)C1=CN=C(C=N1)F
InChI
InChI=1S/C15H23FN2O2/c1-2-3-4-5-6-7-8-9-10-20-15(19)13-11-18-14(16)12-17-13/h11-12H,2-10H2,1H3
InChIKey
SKDBLWPQPQADFN-UHFFFAOYSA-N
Compound name
decyl 5-fluoropyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

282.17435 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18163 168.2
[M+Na]+ 305.16357 174.0
[M-H]- 281.16707 166.6
[M+NH4]+ 300.20817 181.4
[M+K]+ 321.13751 170.7
[M+H-H2O]+ 265.17161 158.4
[M+HCOO]- 327.17255 186.6
[M+CH3COO]- 341.18820 201.8
[M+Na-2H]- 303.14902 170.7
[M]+ 282.17380 172.0
[M]- 282.17490 172.0
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

No patent data available for this compound.