CID 12600386

2-chloro-5-methylpyrazine

Structural Information

Molecular Formula
C5H5ClN2
SMILES
CC1=CN=C(C=N1)Cl
InChI
InChI=1S/C5H5ClN2/c1-4-2-8-5(6)3-7-4/h2-3H,1H3
InChIKey
XSDAJECCWPYVGW-UHFFFAOYSA-N
Compound name
2-chloro-5-methylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

727
Patents

128.01413 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.021406 119.4
[M+Na]+ 151.003348 130.2
[M-H]- 127.006854 120.6
[M+NH4]+ 146.047953 140.0
[M+K]+ 166.977288 127.3
[M+H-H2O]+ 111.011390 113.5
[M+HCOO]- 173.012331 137.9
[M+CH3COO]- 187.027981 169.7
[M+Na-2H]- 148.988796 128.8
[M]+ 128.01358142 121.0
[M]- 128.01467858 121.0
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