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]+ 199.09966 141.5
[M+Na]+ 221.08160 151.9
[M-H]- 197.08510 142.8
[M+NH4]+ 216.12620 160.0
[M+K]+ 237.05554 148.1
[M+H-H2O]+ 181.08964 135.3
[M+HCOO]- 243.09058 157.5
[M+CH3COO]- 257.10623 187.9
[M+Na-2H]- 219.06705 145.6
[M]+ 198.09183 145.2
[M]- 198.09293 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.