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

7
Patents

214.07423 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.081506 145.1
[M+Na]+ 237.063448 154.7
[M-H]- 213.066954 149.5
[M+NH4]+ 232.108053 161.0
[M+K]+ 253.037388 151.3
[M+H-H2O]+ 197.071490 136.3
[M+HCOO]- 259.072431 168.1
[M+CH3COO]- 273.088081 186.9
[M+Na-2H]- 235.048896 152.9
[M]+ 214.07368142 147.3
[M]- 214.07477858 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