CID 18736669

4,5,6-trimethylpyrimidine

Structural Information

Molecular Formula
C7H10N2
SMILES
CC1=C(N=CN=C1C)C
InChI
InChI=1S/C7H10N2/c1-5-6(2)8-4-9-7(5)3/h4H,1-3H3
InChIKey
HLTWPEDCRAMGSW-UHFFFAOYSA-N
Compound name
4,5,6-trimethylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

266
Patents

122.0844 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.09168 122.8
[M+Na]+ 145.07362 133.2
[M-H]- 121.07712 124.5
[M+NH4]+ 140.11822 143.3
[M+K]+ 161.04756 131.6
[M+H-H2O]+ 105.08166 116.4
[M+HCOO]- 167.08260 145.5
[M+CH3COO]- 181.09825 173.0
[M+Na-2H]- 143.05907 131.0
[M]+ 122.08385 123.9
[M]- 122.08495 123.9
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