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

15
Patents

134.04802 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05530 122.2
[M+Na]+ 157.03724 133.2
[M-H]- 133.04074 121.5
[M+NH4]+ 152.08184 139.1
[M+K]+ 173.01118 130.7
[M+H-H2O]+ 117.04528 109.0
[M+HCOO]- 179.04622 139.1
[M+CH3COO]- 193.06187 181.3
[M+Na-2H]- 155.02269 129.7
[M]+ 134.04747 117.8
[M]- 134.04857 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