CID 19031087

25503-87-1

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

C1CNCC1C(=O)C2=CC=CC=C2

InChI

InChI=1S/C11H13NO/c13-11(10-6-7-12-8-10)9-4-2-1-3-5-9/h1-5,10,12H,6-8H2

InChIKey

YLBMMUDQGTXXKP-UHFFFAOYSA-N

Compound name

phenyl(pyrrolidin-3-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 175.09972 Da
Monoisotopic Mass: 1.3
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]+	176.10700	138.8
[M+Na]+	198.08894	144.1
[M-H]-	174.09244	142.1
[M+NH4]+	193.13354	158.0
[M+K]+	214.06288	141.0
[M+H-H2O]+	158.09698	131.7
[M+HCOO]-	220.09792	158.7
[M+CH3COO]-	234.11357	175.6
[M+Na-2H]-	196.07439	142.2
[M]+	175.09917	133.4
[M]-	175.10027	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe