CID 70700751

1-chloro-3-methylpyrrolo[1,2-a]pyrazine

Structural Information

Molecular Formula
C8H7ClN2
SMILES
CC1=CN2C=CC=C2C(=N1)Cl
InChI
InChI=1S/C8H7ClN2/c1-6-5-11-4-2-3-7(11)8(9)10-6/h2-5H,1H3
InChIKey
CSVDZEVPLXGDGS-UHFFFAOYSA-N
Compound name
1-chloro-3-methylpyrrolo[1,2-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

166.02977 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03705 129.5
[M+Na]+ 189.01899 142.5
[M-H]- 165.02249 132.2
[M+NH4]+ 184.06359 151.8
[M+K]+ 204.99293 138.0
[M+H-H2O]+ 149.02703 123.4
[M+HCOO]- 211.02797 149.2
[M+CH3COO]- 225.04362 144.6
[M+Na-2H]- 187.00444 137.8
[M]+ 166.02922 133.7
[M]- 166.03032 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

No literature data available for this compound.

Patent stripe

patents stripe