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

61
Patents

183.05632 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.063596 137.3
[M+Na]+ 206.045538 146.0
[M-H]- 182.049044 139.4
[M+NH4]+ 201.090143 155.4
[M+K]+ 222.019478 142.1
[M+H-H2O]+ 166.053580 128.6
[M+HCOO]- 228.054521 152.7
[M+CH3COO]- 242.070171 149.8
[M+Na-2H]- 204.030986 142.3
[M]+ 183.05577142 135.7
[M]- 183.05686858 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