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

11
Patents

212.07164 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07892 145.1
[M+Na]+ 235.06086 152.9
[M-H]- 211.06436 148.4
[M+NH4]+ 230.10546 163.4
[M+K]+ 251.03480 149.1
[M+H-H2O]+ 195.06890 137.0
[M+HCOO]- 257.06984 161.5
[M+CH3COO]- 271.08549 182.9
[M+Na-2H]- 233.04631 149.3
[M]+ 212.07109 145.3
[M]- 212.07219 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