CID 62313063

2-(butan-2-yl)-4-chloro-6-methylpyrimidine

Structural Information

Molecular Formula
C9H13ClN2
SMILES
CCC(C)C1=NC(=CC(=N1)Cl)C
InChI
InChI=1S/C9H13ClN2/c1-4-6(2)9-11-7(3)5-8(10)12-9/h5-6H,4H2,1-3H3
InChIKey
AHLDBLRZNGKNRD-UHFFFAOYSA-N
Compound name
2-butan-2-yl-4-chloro-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
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References

0
Patents

184.07672 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08400 138.3
[M+Na]+ 207.06594 153.1
[M+NH4]+ 202.11054 147.0
[M+K]+ 223.03988 145.8
[M-H]- 183.06944 139.9
[M+Na-2H]- 205.05139 145.5
[M]+ 184.07617 141.2
[M]- 184.07727 141.2
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.