CID 43557629

1155152-94-5

Structural Information

Molecular Formula
C10H15ClN2
SMILES
CC(C)C1=CC(=NC(=N1)C(C)C)Cl
InChI
InChI=1S/C10H15ClN2/c1-6(2)8-5-9(11)13-10(12-8)7(3)4/h5-7H,1-4H3
InChIKey
VTBIAIVKOAUJGU-UHFFFAOYSA-N
Compound name
4-chloro-2,6-di(propan-2-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

198.09238 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.099656 141.5
[M+Na]+ 221.081598 150.7
[M-H]- 197.085104 142.5
[M+NH4]+ 216.126203 159.5
[M+K]+ 237.055538 147.3
[M+H-H2O]+ 181.089640 135.1
[M+HCOO]- 243.090581 156.5
[M+CH3COO]- 257.106231 187.6
[M+Na-2H]- 219.067046 145.1
[M]+ 198.09183142 144.2
[M]- 198.09292858 144.2
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