CID 73994643

2-chloro-4,6-dimethyl-5-(2-methylpropyl)pyrimidine

Structural Information

Molecular Formula
C10H15ClN2
SMILES
CC1=C(C(=NC(=N1)Cl)C)CC(C)C
InChI
InChI=1S/C10H15ClN2/c1-6(2)5-9-7(3)12-10(11)13-8(9)4/h6H,5H2,1-4H3
InChIKey
YXVNOWLEZAZLBU-UHFFFAOYSA-N
Compound name
2-chloro-4,6-dimethyl-5-(2-methylpropyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
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References

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Patents

198.09238 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09966 142.8
[M+Na]+ 221.08160 157.7
[M+NH4]+ 216.12620 151.4
[M+K]+ 237.05554 150.4
[M-H]- 197.08510 144.5
[M+Na-2H]- 219.06705 149.5
[M]+ 198.09183 145.8
[M]- 198.09293 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.