CID 2770911

112767-38-1

Structural Information

Molecular Formula

C₁₃H₁₃FN₂

SMILES

C1CN2C=CC=C2C(N1)C3=CC=C(C=C3)F

InChI

InChI=1S/C13H13FN2/c14-11-5-3-10(4-6-11)13-12-2-1-8-16(12)9-7-15-13/h1-6,8,13,15H,7,9H2

InChIKey

FAHUKNBUIVOJJR-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1709
Patents: 216.10628 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	217.11356	148.6
[M+Na]+	239.09550	161.6
[M+NH4]+	234.14010	157.5
[M+K]+	255.06944	155.5
[M-H]-	215.09900	150.9
[M+Na-2H]-	237.08095	155.5
[M]+	216.10573	151.0
[M]-	216.10683	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe