CID 583432

1-methylpyrrolo[1,2-a]pyrazine

Structural Information

Molecular Formula
C8H8N2
SMILES
CC1=NC=CN2C1=CC=C2
InChI
InChI=1S/C8H8N2/c1-7-8-3-2-5-10(8)6-4-9-7/h2-6H,1H3
InChIKey
OCFOYCLGYLFXCC-UHFFFAOYSA-N
Compound name
1-methylpyrrolo[1,2-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

96
Patents

132.06874 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.076016 122.7
[M+Na]+ 155.057958 134.1
[M-H]- 131.061464 125.4
[M+NH4]+ 150.102563 145.3
[M+K]+ 171.031898 131.4
[M+H-H2O]+ 115.066000 116.1
[M+HCOO]- 177.066941 147.2
[M+CH3COO]- 191.082591 138.0
[M+Na-2H]- 153.043406 132.4
[M]+ 132.06819142 124.7
[M]- 132.06928858 124.7
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

Patent stripe

patents stripe