CID 913023

5-allyl-6-chloro-2-methylpyrimidin-4-amine

Structural Information

Molecular Formula
C8H10ClN3
SMILES
CC1=NC(=C(C(=N1)Cl)CC=C)N
InChI
InChI=1S/C8H10ClN3/c1-3-4-6-7(9)11-5(2)12-8(6)10/h3H,1,4H2,2H3,(H2,10,11,12)
InChIKey
PMNLBPKZOWXYIE-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-5-prop-2-enylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

183.05632 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06360 137.9
[M+Na]+ 206.04554 148.8
[M-H]- 182.04904 138.8
[M+NH4]+ 201.09014 156.2
[M+K]+ 222.01948 143.9
[M+H-H2O]+ 166.05358 131.6
[M+HCOO]- 228.05452 156.0
[M+CH3COO]- 242.07017 184.2
[M+Na-2H]- 204.03099 143.2
[M]+ 183.05577 138.9
[M]- 183.05687 138.9
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