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

17
Patents

171.05632 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.06360 134.3
[M+Na]+ 194.04554 144.1
[M-H]- 170.04904 135.1
[M+NH4]+ 189.09014 152.8
[M+K]+ 210.01948 140.5
[M+H-H2O]+ 154.05358 128.0
[M+HCOO]- 216.05452 151.6
[M+CH3COO]- 230.07017 181.8
[M+Na-2H]- 192.03099 139.8
[M]+ 171.05577 134.7
[M]- 171.05687 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