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

0
Patents

199.05124 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.05852 140.1
[M+Na]+ 222.04046 153.2
[M+NH4]+ 217.08506 148.1
[M+K]+ 238.01440 148.7
[M-H]- 198.04396 141.5
[M+Na-2H]- 220.02591 146.8
[M]+ 199.05069 142.5
[M]- 199.05179 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.