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

5
Patents

204.08987 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.097146 142.1
[M+Na]+ 227.079088 153.1
[M-H]- 203.082594 144.7
[M+NH4]+ 222.123693 161.8
[M+K]+ 243.053028 150.1
[M+H-H2O]+ 187.087130 134.8
[M+HCOO]- 249.088071 166.1
[M+CH3COO]- 263.103721 185.3
[M+Na-2H]- 225.064536 149.4
[M]+ 204.08932142 147.7
[M]- 204.09041858 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