CID 3025149

102207-71-6

Structural Information

Molecular Formula
C10H16ClN3
SMILES
CCCCCC1=C(N=C(N=C1Cl)C)N
InChI
InChI=1S/C10H16ClN3/c1-3-4-5-6-8-9(11)13-7(2)14-10(8)12/h3-6H2,1-2H3,(H2,12,13,14)
InChIKey
LPDRPEQCLGHDDC-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-5-pentylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.10327 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.110546 148.1
[M+Na]+ 236.092488 157.9
[M-H]- 212.095994 148.7
[M+NH4]+ 231.137093 165.3
[M+K]+ 252.066428 153.1
[M+H-H2O]+ 196.100530 141.4
[M+HCOO]- 258.101471 165.4
[M+CH3COO]- 272.117121 191.1
[M+Na-2H]- 234.077936 152.4
[M]+ 213.10272142 150.6
[M]- 213.10381858 150.6
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.