CID 10773821

2-chloro-4-(pyrrolidin-1-yl)pyrimidine

Structural Information

Molecular Formula
C8H10ClN3
SMILES
C1CCN(C1)C2=NC(=NC=C2)Cl
InChI
InChI=1S/C8H10ClN3/c9-8-10-4-3-7(11-8)12-5-1-2-6-12/h3-4H,1-2,5-6H2
InChIKey
OSBZWNGXKCNMHM-UHFFFAOYSA-N
Compound name
2-chloro-4-pyrrolidin-1-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

183.05632 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06360 137.3
[M+Na]+ 206.04554 146.0
[M-H]- 182.04904 139.4
[M+NH4]+ 201.09014 155.4
[M+K]+ 222.01948 142.1
[M+H-H2O]+ 166.05358 128.6
[M+HCOO]- 228.05452 152.7
[M+CH3COO]- 242.07017 149.8
[M+Na-2H]- 204.03099 142.3
[M]+ 183.05577 135.7
[M]- 183.05687 135.7
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

patents stripe