CID 18186863

2-chloro-6-(cyclopentylmethoxy)pyrazine

Structural Information

Molecular Formula
C10H13ClN2O
SMILES
C1CCC(C1)COC2=CN=CC(=N2)Cl
InChI
InChI=1S/C10H13ClN2O/c11-9-5-12-6-10(13-9)14-7-8-3-1-2-4-8/h5-6,8H,1-4,7H2
InChIKey
JPXVIUNZXARJHN-UHFFFAOYSA-N
Compound name
2-chloro-6-(cyclopentylmethoxy)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

212.07164 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.078916 145.1
[M+Na]+ 235.060858 152.9
[M-H]- 211.064364 148.4
[M+NH4]+ 230.105463 163.4
[M+K]+ 251.034798 149.1
[M+H-H2O]+ 195.068900 137.0
[M+HCOO]- 257.069841 161.5
[M+CH3COO]- 271.085491 182.9
[M+Na-2H]- 233.046306 149.3
[M]+ 212.07109142 145.3
[M]- 212.07218858 145.3
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

patents stripe