CID 28064073

4-chloro-5,6-dimethyl-2-(1-pyrrolidinyl)pyrimidine

Structural Information

Molecular Formula
C10H14ClN3
SMILES
CC1=C(N=C(N=C1Cl)N2CCCC2)C
InChI
InChI=1S/C10H14ClN3/c1-7-8(2)12-10(13-9(7)11)14-5-3-4-6-14/h3-6H2,1-2H3
InChIKey
IAQXQKOQYBKGGH-UHFFFAOYSA-N
Compound name
4-chloro-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.08763 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.09491 146.7
[M+Na]+ 234.07685 156.4
[M-H]- 210.08035 149.2
[M+NH4]+ 229.12145 164.3
[M+K]+ 250.05079 151.9
[M+H-H2O]+ 194.08489 138.2
[M+HCOO]- 256.08583 161.4
[M+CH3COO]- 270.10148 159.0
[M+Na-2H]- 232.06230 149.2
[M]+ 211.08708 146.6
[M]- 211.08818 146.6
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.