CID 12600390

5-chloro-2,3-dimethylpyrazine

Structural Information

Molecular Formula
C6H7ClN2
SMILES
CC1=NC=C(N=C1C)Cl
InChI
InChI=1S/C6H7ClN2/c1-4-5(2)9-6(7)3-8-4/h3H,1-2H3
InChIKey
MEWMQKSSLANHCR-UHFFFAOYSA-N
Compound name
5-chloro-2,3-dimethylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

142.02977 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.037046 123.7
[M+Na]+ 165.018988 135.1
[M-H]- 141.022494 125.2
[M+NH4]+ 160.063593 144.1
[M+K]+ 180.992928 131.9
[M+H-H2O]+ 125.027030 117.9
[M+HCOO]- 187.027971 142.0
[M+CH3COO]- 201.043621 173.8
[M+Na-2H]- 163.004436 131.9
[M]+ 142.02922142 126.1
[M]- 142.03031858 126.1
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