CID 2770913

897615-91-7

Structural Information

Molecular Formula

C₁₃H₁₃FN₂

SMILES

C1CN2C=CC=C2C(N1)C3=CC=CC=C3F

InChI

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

InChIKey

RCGRCTXPSVQZEH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
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	146.7
[M+Na]+	239.09550	154.6
[M-H]-	215.09900	148.7
[M+NH4]+	234.14010	164.5
[M+K]+	255.06944	149.0
[M+H-H2O]+	199.10354	137.7
[M+HCOO]-	261.10448	164.0
[M+CH3COO]-	275.12013	158.1
[M+Na-2H]-	237.08095	151.0
[M]+	216.10573	141.0
[M]-	216.10683	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe