CID 10727355

2-methoxy-5-(pyrimidin-5-yl)benzaldehyde

Structural Information

Molecular Formula
C12H10N2O2
SMILES
COC1=C(C=C(C=C1)C2=CN=CN=C2)C=O
InChI
InChI=1S/C12H10N2O2/c1-16-12-3-2-9(4-10(12)7-15)11-5-13-8-14-6-11/h2-8H,1H3
InChIKey
BTQNEGKTJZGCPC-UHFFFAOYSA-N
Compound name
2-methoxy-5-pyrimidin-5-ylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

214.07423 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08151 145.1
[M+Na]+ 237.06345 154.7
[M-H]- 213.06695 149.5
[M+NH4]+ 232.10805 161.0
[M+K]+ 253.03739 151.3
[M+H-H2O]+ 197.07149 136.3
[M+HCOO]- 259.07243 168.1
[M+CH3COO]- 273.08808 186.9
[M+Na-2H]- 235.04890 152.9
[M]+ 214.07368 147.3
[M]- 214.07478 147.3
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