CID 15072057

1-(2-methoxyethyl)-1h-1,3-benzodiazole-2-carbaldehyde

Structural Information

Molecular Formula
C11H12N2O2
SMILES
COCCN1C2=CC=CC=C2N=C1C=O
InChI
InChI=1S/C11H12N2O2/c1-15-7-6-13-10-5-3-2-4-9(10)12-11(13)8-14/h2-5,8H,6-7H2,1H3
InChIKey
DWFAULYVAZKKPX-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)benzimidazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

204.08987 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 142.1
[M+Na]+ 227.07909 153.1
[M-H]- 203.08259 144.7
[M+NH4]+ 222.12369 161.8
[M+K]+ 243.05303 150.1
[M+H-H2O]+ 187.08713 134.8
[M+HCOO]- 249.08807 166.1
[M+CH3COO]- 263.10372 185.3
[M+Na-2H]- 225.06454 149.4
[M]+ 204.08932 147.7
[M]- 204.09042 147.7
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