CID 465040

Methyldecyl 5-chloropyrazine-2-carboxylate

Structural Information

Molecular Formula
C16H25ClN2O2
SMILES
CCCCCCCCCC(C)OC(=O)C1=CN=C(C=N1)Cl
InChI
InChI=1S/C16H25ClN2O2/c1-3-4-5-6-7-8-9-10-13(2)21-16(20)14-11-19-15(17)12-18-14/h11-13H,3-10H2,1-2H3
InChIKey
RJPKAXNGORTEDK-UHFFFAOYSA-N
Compound name
undecan-2-yl 5-chloropyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

312.16046 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.16774 174.7
[M+Na]+ 335.14968 180.5
[M-H]- 311.15318 174.3
[M+NH4]+ 330.19428 187.6
[M+K]+ 351.12362 176.1
[M+H-H2O]+ 295.15772 166.4
[M+HCOO]- 357.15866 188.4
[M+CH3COO]- 371.17431 206.6
[M+Na-2H]- 333.13513 175.8
[M]+ 312.15991 181.3
[M]- 312.16101 181.3
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

No patent data available for this compound.