CID 312603

502141-81-3

Structural Information

Molecular Formula
C7H10ClN3
SMILES
CCNC1=NC(=NC(=C1)C)Cl
InChI
InChI=1S/C7H10ClN3/c1-3-9-6-4-5(2)10-7(8)11-6/h4H,3H2,1-2H3,(H,9,10,11)
InChIKey
BUCNSHMBGFFZMV-UHFFFAOYSA-N
Compound name
2-chloro-N-ethyl-6-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

171.05632 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.063596 133.8
[M+Na]+ 194.045538 143.8
[M-H]- 170.049044 135.0
[M+NH4]+ 189.090143 152.6
[M+K]+ 210.019478 140.2
[M+H-H2O]+ 154.053580 127.3
[M+HCOO]- 216.054521 152.7
[M+CH3COO]- 230.070171 181.6
[M+Na-2H]- 192.030986 141.5
[M]+ 171.05577142 135.8
[M]- 171.05686858 135.8
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