CID 6433770

4-(2-(dimethylamino)vinyl)pyrimidine

Structural Information

Molecular Formula
C8H11N3
SMILES
CN(C)/C=C/C1=NC=NC=C1
InChI
InChI=1S/C8H11N3/c1-11(2)6-4-8-3-5-9-7-10-8/h3-7H,1-2H3/b6-4+
InChIKey
MZEMTDHEIXQJAS-GQCTYLIASA-N
Compound name
(E)-N,N-dimethyl-2-pyrimidin-4-ylethenamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

149.09529 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.10257 131.2
[M+Na]+ 172.08451 138.8
[M-H]- 148.08801 133.4
[M+NH4]+ 167.12911 150.1
[M+K]+ 188.05845 137.6
[M+H-H2O]+ 132.09255 123.4
[M+HCOO]- 194.09349 155.2
[M+CH3COO]- 208.10914 180.5
[M+Na-2H]- 170.06996 139.8
[M]+ 149.09474 131.5
[M]- 149.09584 131.5
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