CID 2773619

73576-33-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
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

literature stripe

Patent stripe

patents stripe