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]+ 148.086926 128.4
[M+Na]+ 170.068868 138.3
[M-H]- 146.072374 128.8
[M+NH4]+ 165.113473 145.0
[M+K]+ 186.042808 136.3
[M+H-H2O]+ 130.076910 114.5
[M+HCOO]- 192.077851 146.0
[M+CH3COO]- 206.093501 189.6
[M+Na-2H]- 168.054316 134.9
[M]+ 147.07910142 123.4
[M]- 147.08019858 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.