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]+ 214.11055 148.1
[M+Na]+ 236.09249 157.9
[M-H]- 212.09599 148.7
[M+NH4]+ 231.13709 165.3
[M+K]+ 252.06643 153.1
[M+H-H2O]+ 196.10053 141.4
[M+HCOO]- 258.10147 165.4
[M+CH3COO]- 272.11712 191.1
[M+Na-2H]- 234.07794 152.4
[M]+ 213.10272 150.6
[M]- 213.10382 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.