CID 72212452

5-ethynyl-n,n-dimethylpyrimidin-2-amine

Structural Information

Molecular Formula
C8H9N3
SMILES
CN(C)C1=NC=C(C=N1)C#C
InChI
InChI=1S/C8H9N3/c1-4-7-5-9-8(10-6-7)11(2)3/h1,5-6H,2-3H3
InChIKey
AOJKYZXDDYILLR-UHFFFAOYSA-N
Compound name
5-ethynyl-N,N-dimethylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.07965 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.08693 128.4
[M+Na]+ 170.06887 138.3
[M-H]- 146.07237 128.8
[M+NH4]+ 165.11347 145.0
[M+K]+ 186.04281 136.3
[M+H-H2O]+ 130.07691 114.5
[M+HCOO]- 192.07785 146.0
[M+CH3COO]- 206.09350 189.6
[M+Na-2H]- 168.05432 134.9
[M]+ 147.07910 123.4
[M]- 147.08020 123.4
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.