CID 12679395

2-chloro-n-ethyl-n-methyl-4-pyrimidinamine

Structural Information

Molecular Formula
C7H10ClN3
SMILES
CCN(C)C1=NC(=NC=C1)Cl
InChI
InChI=1S/C7H10ClN3/c1-3-11(2)6-4-5-9-7(8)10-6/h4-5H,3H2,1-2H3
InChIKey
WYVQCIMGZVVQER-UHFFFAOYSA-N
Compound name
2-chloro-N-ethyl-N-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
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 133.2
[M+Na]+ 194.04554 142.4
[M-H]- 170.04904 135.5
[M+NH4]+ 189.09014 152.3
[M+K]+ 210.01948 140.1
[M+H-H2O]+ 154.05358 126.2
[M+HCOO]- 216.05452 152.6
[M+CH3COO]- 230.07017 184.0
[M+Na-2H]- 192.03099 141.0
[M]+ 171.05577 136.1
[M]- 171.05687 136.1
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