CID 25220543

1217780-42-1

Structural Information

Molecular Formula

C₁₁H₁₄ClNO

SMILES

C1[C@H]([C@@H](CN1)C2=CC=C(C=C2)Cl)CO

InChI

InChI=1S/C11H14ClNO/c12-10-3-1-8(2-4-10)11-6-13-5-9(11)7-14/h1-4,9,11,13-14H,5-7H2/t9-,11-/m0/s1

InChIKey

CAPQIHOUMBRMTA-ONGXEEELSA-N

Compound name

[(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.07639 Da
Monoisotopic Mass: 1.5
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	146.5
[M+Na]+	234.065608	154.0
[M-H]-	210.069114	148.8
[M+NH4]+	229.110213	165.2
[M+K]+	250.039548	148.1
[M+H-H2O]+	194.073650	140.5
[M+HCOO]-	256.074591	161.0
[M+CH3COO]-	270.090241	179.2
[M+Na-2H]-	232.051056	148.6
[M]+	211.07584142	143.3
[M]-	211.07693858	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe