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]+ 186.079256 137.7
[M+Na]+ 208.061198 147.5
[M-H]- 184.064704 140.3
[M+NH4]+ 203.105803 156.6
[M+K]+ 224.035138 144.9
[M+H-H2O]+ 168.069240 130.8
[M+HCOO]- 230.070181 156.8
[M+CH3COO]- 244.085831 188.1
[M+Na-2H]- 206.046646 144.2
[M]+ 185.07143142 141.4
[M]- 185.07252858 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.