CID 465033

Undecyl 5-chloropyrazine-2-carboxylate

Structural Information

Molecular Formula
C16H25ClN2O2
SMILES
CCCCCCCCCCCOC(=O)C1=CN=C(C=N1)Cl
InChI
InChI=1S/C16H25ClN2O2/c1-2-3-4-5-6-7-8-9-10-11-21-16(20)14-12-19-15(17)13-18-14/h12-13H,2-11H2,1H3
InChIKey
ULUOQJZBQQYACN-UHFFFAOYSA-N
Compound name
undecyl 5-chloropyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

312.16046 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.16774 174.8
[M+Na]+ 335.14968 180.9
[M-H]- 311.15318 174.3
[M+NH4]+ 330.19428 187.8
[M+K]+ 351.12362 176.0
[M+H-H2O]+ 295.15772 166.3
[M+HCOO]- 357.15866 189.4
[M+CH3COO]- 371.17431 205.7
[M+Na-2H]- 333.13513 177.0
[M]+ 312.15991 182.0
[M]- 312.16101 182.0
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.