CID 14314267

1354959-11-7

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

C1CC(NC1)CC(C2=CC=CC=C2)O

InChI

InChI=1S/C12H17NO/c14-12(9-11-7-4-8-13-11)10-5-2-1-3-6-10/h1-3,5-6,11-14H,4,7-9H2

InChIKey

VSDZLESKQMMKLT-UHFFFAOYSA-N

Compound name

1-phenyl-2-pyrrolidin-2-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 191.13101 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]+	192.13829	144.7
[M+Na]+	214.12023	148.8
[M-H]-	190.12373	146.5
[M+NH4]+	209.16483	162.7
[M+K]+	230.09417	145.2
[M+H-H2O]+	174.12827	137.6
[M+HCOO]-	236.12921	162.6
[M+CH3COO]-	250.14486	176.9
[M+Na-2H]-	212.10568	147.1
[M]+	191.13046	138.5
[M]-	191.13156	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe