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

748
Patents

128.01413 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.02141 119.4
[M+Na]+ 151.00335 130.2
[M-H]- 127.00685 120.6
[M+NH4]+ 146.04795 140.0
[M+K]+ 166.97729 127.3
[M+H-H2O]+ 111.01139 113.5
[M+HCOO]- 173.01233 137.9
[M+CH3COO]- 187.02798 169.7
[M+Na-2H]- 148.98880 128.8
[M]+ 128.01358 121.0
[M]- 128.01468 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