CID 2770910

1-phenyl-1h,2h,3h,4h-pyrrolo[1,2-a]pyrazine

Structural Information

Molecular Formula
C13H14N2
SMILES
C1CN2C=CC=C2C(N1)C3=CC=CC=C3
InChI
InChI=1S/C13H14N2/c1-2-5-11(6-3-1)13-12-7-4-9-15(12)10-8-14-13/h1-7,9,13-14H,8,10H2
InChIKey
OJWIBJCTTSRXTB-UHFFFAOYSA-N
Compound name
1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

32
Patents

198.11569 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12297 143.6
[M+Na]+ 221.10491 150.6
[M-H]- 197.10841 146.7
[M+NH4]+ 216.14951 161.9
[M+K]+ 237.07885 145.5
[M+H-H2O]+ 181.11295 135.3
[M+HCOO]- 243.11389 162.0
[M+CH3COO]- 257.12954 155.3
[M+Na-2H]- 219.09036 149.3
[M]+ 198.11514 138.6
[M]- 198.11624 138.6
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