CID 71327041

2-(chloromethyl)-n,n,6-trimethylpyrimidin-4-amine

Structural Information

Molecular Formula
C8H12ClN3
SMILES
CC1=CC(=NC(=N1)CCl)N(C)C
InChI
InChI=1S/C8H12ClN3/c1-6-4-8(12(2)3)11-7(5-9)10-6/h4H,5H2,1-3H3
InChIKey
QSCRWPUKPUFUEG-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-N,N,6-trimethylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.07198 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07926 137.7
[M+Na]+ 208.06120 147.5
[M-H]- 184.06470 140.3
[M+NH4]+ 203.10580 156.6
[M+K]+ 224.03514 144.9
[M+H-H2O]+ 168.06924 130.8
[M+HCOO]- 230.07018 156.8
[M+CH3COO]- 244.08583 188.1
[M+Na-2H]- 206.04665 144.2
[M]+ 185.07143 141.4
[M]- 185.07253 141.4
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.