CID 71209516

113502-55-9

Structural Information

Molecular Formula

C₁₄H₁₃NO

SMILES

C1CC2=CC=C(N2C1)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C14H13NO/c16-14(11-5-2-1-3-6-11)13-9-8-12-7-4-10-15(12)13/h1-3,5-6,8-9H,4,7,10H2

InChIKey

DHUITNLXEMJSMU-UHFFFAOYSA-N

Compound name

6,7-dihydro-5H-pyrrolizin-3-yl(phenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 211.09972 Da
Monoisotopic Mass: 2.7
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]+	212.106996	147.6
[M+Na]+	234.088938	155.3
[M-H]-	210.092444	154.1
[M+NH4]+	229.133543	169.2
[M+K]+	250.062878	151.8
[M+H-H2O]+	194.096980	140.7
[M+HCOO]-	256.097921	170.1
[M+CH3COO]-	270.113571	160.8
[M+Na-2H]-	232.074386	150.2
[M]+	211.09917142	146.7
[M]-	211.10026858	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe