CID 73555043

1258288-61-7

Structural Information

Molecular Formula
C7H10ClN3
SMILES
CC(C)C1=CC(=NC(=N1)Cl)N
InChI
InChI=1S/C7H10ClN3/c1-4(2)5-3-6(9)11-7(8)10-5/h3-4H,1-2H3,(H2,9,10,11)
InChIKey
XBOHJBMIGNEQEH-UHFFFAOYSA-N
Compound name
2-chloro-6-propan-2-ylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

171.05632 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.063596 134.3
[M+Na]+ 194.045538 144.1
[M-H]- 170.049044 135.1
[M+NH4]+ 189.090143 152.8
[M+K]+ 210.019478 140.5
[M+H-H2O]+ 154.053580 128.0
[M+HCOO]- 216.054521 151.6
[M+CH3COO]- 230.070171 181.8
[M+Na-2H]- 192.030986 139.8
[M]+ 171.05577142 134.7
[M]- 171.05686858 134.7
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