CID 45078336

58533-59-8

Structural Information

Molecular Formula
C10H12N2O2
SMILES
CCN1C2=C(C=C(C=C2)OC)NC1=O
InChI
InChI=1S/C10H12N2O2/c1-3-12-9-5-4-7(14-2)6-8(9)11-10(12)13/h4-6H,3H2,1-2H3,(H,11,13)
InChIKey
UIOLNBPPYXYIAX-UHFFFAOYSA-N
Compound name
3-ethyl-6-methoxy-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.08987 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.097146 138.4
[M+Na]+ 215.079088 150.4
[M-H]- 191.082594 140.2
[M+NH4]+ 210.123693 158.3
[M+K]+ 231.053028 146.6
[M+H-H2O]+ 175.087130 131.9
[M+HCOO]- 237.088071 161.2
[M+CH3COO]- 251.103721 181.0
[M+Na-2H]- 213.064536 145.0
[M]+ 192.08932142 142.2
[M]- 192.09041858 142.2
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

No patent data available for this compound.