CID 12826354

2-chloro-3-propylpyrazine

Structural Information

Molecular Formula
C7H9ClN2
SMILES
CCCC1=NC=CN=C1Cl
InChI
InChI=1S/C7H9ClN2/c1-2-3-6-7(8)10-5-4-9-6/h4-5H,2-3H2,1H3
InChIKey
QWXNQYXBZDNOSP-UHFFFAOYSA-N
Compound name
2-chloro-3-propylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

156.04543 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.05271 128.7
[M+Na]+ 179.03465 138.7
[M-H]- 155.03815 129.5
[M+NH4]+ 174.07925 148.2
[M+K]+ 195.00859 135.2
[M+H-H2O]+ 139.04269 122.3
[M+HCOO]- 201.04363 146.6
[M+CH3COO]- 215.05928 175.7
[M+Na-2H]- 177.02010 137.0
[M]+ 156.04488 131.0
[M]- 156.04598 131.0
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

patents stripe