CID 14292627

1-chloro-7-methylpyrrolo[1,2-a]pyrazine

Structural Information

Molecular Formula
C8H7ClN2
SMILES
CC1=CN2C=CN=C(C2=C1)Cl
InChI
InChI=1S/C8H7ClN2/c1-6-4-7-8(9)10-2-3-11(7)5-6/h2-5H,1H3
InChIKey
WLOSAJNEYIMLQE-UHFFFAOYSA-N
Compound name
1-chloro-7-methylpyrrolo[1,2-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.02977 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.037046 129.5
[M+Na]+ 189.018988 142.5
[M-H]- 165.022494 132.2
[M+NH4]+ 184.063593 151.8
[M+K]+ 204.992928 138.0
[M+H-H2O]+ 149.027030 123.4
[M+HCOO]- 211.027971 149.2
[M+CH3COO]- 225.043621 144.6
[M+Na-2H]- 187.004436 137.8
[M]+ 166.02922142 133.7
[M]- 166.03031858 133.7
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

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No patent data available for this compound.