CID 13794784

7421-62-7

Structural Information

Molecular Formula

C₁₂H₁₄N₂O

SMILES

C1CC2(NCCN2C1=O)C3=CC=CC=C3

InChI

InChI=1S/C12H14N2O/c15-11-6-7-12(13-8-9-14(11)12)10-4-2-1-3-5-10/h1-5,13H,6-9H2

InChIKey

YGADCQTZEQFSNS-UHFFFAOYSA-N

Compound name

7a-phenyl-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 202.11061 Da
Monoisotopic Mass: 0.6
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]+	203.11789	145.7
[M+Na]+	225.09983	153.1
[M-H]-	201.10333	149.2
[M+NH4]+	220.14443	167.6
[M+K]+	241.07377	149.1
[M+H-H2O]+	185.10787	138.4
[M+HCOO]-	247.10881	164.2
[M+CH3COO]-	261.12446	157.8
[M+Na-2H]-	223.08528	149.0
[M]+	202.11006	140.8
[M]-	202.11116	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe