CID 485619

[(2r,5s)-2-isopropyl-5-methyl-cyclohexyl] pyrazine-2-carboxylate

Structural Information

Molecular Formula
C15H22N2O2
SMILES
C[C@H]1CC[C@@H](C(C1)OC(=O)C2=NC=CN=C2)C(C)C
InChI
InChI=1S/C15H22N2O2/c1-10(2)12-5-4-11(3)8-14(12)19-15(18)13-9-16-6-7-17-13/h6-7,9-12,14H,4-5,8H2,1-3H3/t11-,12+,14?/m0/s1
InChIKey
DSYXXMGEDRPADJ-KTYPHDMWSA-N
Compound name
[(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] pyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 163.1
[M+Na]+ 285.15734 167.8
[M-H]- 261.16084 166.1
[M+NH4]+ 280.20194 176.7
[M+K]+ 301.13128 165.4
[M+H-H2O]+ 245.16538 154.0
[M+HCOO]- 307.16632 178.8
[M+CH3COO]- 321.18197 198.0
[M+Na-2H]- 283.14279 163.9
[M]+ 262.16757 160.9
[M]- 262.16867 160.9
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.