CID 93765

2-chloro-3-isopropylpyrazine

Structural Information

Molecular Formula
C7H9ClN2
SMILES
CC(C)C1=NC=CN=C1Cl
InChI
InChI=1S/C7H9ClN2/c1-5(2)6-7(8)10-4-3-9-6/h3-5H,1-2H3
InChIKey
BMSLPKADYHPKFF-UHFFFAOYSA-N
Compound name
2-chloro-3-propan-2-ylpyrazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

88
Patents

156.04543 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.052706 128.5
[M+Na]+ 179.034648 138.2
[M-H]- 155.038154 129.5
[M+NH4]+ 174.079253 147.9
[M+K]+ 195.008588 135.2
[M+H-H2O]+ 139.042690 122.3
[M+HCOO]- 201.043631 145.4
[M+CH3COO]- 215.059281 176.6
[M+Na-2H]- 177.020096 135.6
[M]+ 156.04488142 130.3
[M]- 156.04597858 130.3
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