CID 11018843

Pyrrolo[1,2-a]pyrazine

Structural Information

Molecular Formula
C7H6N2
SMILES
C1=CN2C=CN=CC2=C1
InChI
InChI=1S/C7H6N2/c1-2-7-6-8-3-5-9(7)4-1/h1-6H
InChIKey
QSLLFYVBWXWUQT-UHFFFAOYSA-N
Compound name
pyrrolo[1,2-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

2435
Patents

118.0531 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.06038 118.0
[M+Na]+ 141.04232 128.9
[M-H]- 117.04582 120.5
[M+NH4]+ 136.08692 140.8
[M+K]+ 157.01626 126.5
[M+H-H2O]+ 101.05036 111.3
[M+HCOO]- 163.05130 142.8
[M+CH3COO]- 177.06695 133.4
[M+Na-2H]- 139.02777 129.0
[M]+ 118.05255 119.3
[M]- 118.05365 119.3
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