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
Annotation Hits

0
References

0
Patents

198.09238 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.099656 141.5
[M+Na]+ 221.081598 151.9
[M-H]- 197.085104 142.8
[M+NH4]+ 216.126203 160.0
[M+K]+ 237.055538 148.1
[M+H-H2O]+ 181.089640 135.3
[M+HCOO]- 243.090581 157.5
[M+CH3COO]- 257.106231 187.9
[M+Na-2H]- 219.067046 145.6
[M]+ 198.09183142 145.2
[M]- 198.09292858 145.2
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

No patent data available for this compound.