CID 3051532

67466-33-5

Structural Information

Molecular Formula

C₁₁H₁₄ClNO

SMILES

C1CNCC1(CC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)7-11(14)5-6-13-8-11/h1-4,13-14H,5-8H2

InChIKey

JEIKNPSCGAVTRT-UHFFFAOYSA-N

Compound name

3-[(4-chlorophenyl)methyl]pyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 211.07639 Da
Monoisotopic Mass: 1.7
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]+	212.083666	146.0
[M+Na]+	234.065608	153.6
[M-H]-	210.069114	148.4
[M+NH4]+	229.110213	166.4
[M+K]+	250.039548	147.8
[M+H-H2O]+	194.073650	140.4
[M+HCOO]-	256.074591	160.6
[M+CH3COO]-	270.090241	157.8
[M+Na-2H]-	232.051056	150.0
[M]+	211.07584142	142.7
[M]-	211.07693858	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe