CID 10011938

2-ethynyl-4-methoxypyrimidine

Structural Information

Molecular Formula
C7H6N2O
SMILES
COC1=NC(=NC=C1)C#C
InChI
InChI=1S/C7H6N2O/c1-3-6-8-5-4-7(9-6)10-2/h1,4-5H,2H3
InChIKey
YEUPWWFSFTVXRI-UHFFFAOYSA-N
Compound name
2-ethynyl-4-methoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

134.04802 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.055296 122.2
[M+Na]+ 157.037238 133.2
[M-H]- 133.040744 121.5
[M+NH4]+ 152.081843 139.1
[M+K]+ 173.011178 130.7
[M+H-H2O]+ 117.045280 109.0
[M+HCOO]- 179.046221 139.1
[M+CH3COO]- 193.061871 181.3
[M+Na-2H]- 155.022686 129.7
[M]+ 134.04747142 117.8
[M]- 134.04856858 117.8
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