CID 71649291

1421019-45-5

Structural Information

Molecular Formula

C₈H₁₀ClN₃O

SMILES

C1CN(C[C@@H]1O)C2=NC=CC(=N2)Cl

InChI

InChI=1S/C8H10ClN3O/c9-7-1-3-10-8(11-7)12-4-2-6(13)5-12/h1,3,6,13H,2,4-5H2/t6-/m1/s1

InChIKey

JNEIOMYUNLFYCC-ZCFIWIBFSA-N

Compound name

(3R)-1-(4-chloropyrimidin-2-yl)pyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 199.05124 Da
Monoisotopic Mass: 1.1
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]+	200.058516	140.7
[M+Na]+	222.040458	149.8
[M-H]-	198.043964	141.9
[M+NH4]+	217.085063	157.8
[M+K]+	238.014398	145.5
[M+H-H2O]+	182.048500	132.6
[M+HCOO]-	244.049441	154.9
[M+CH3COO]-	258.065091	152.8
[M+Na-2H]-	220.025906	144.6
[M]+	199.05069142	139.2
[M]-	199.05178858	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe