CID 36021

31929-85-8

Structural Information

Molecular Formula
C15H16N2O2
SMILES
CC1CC(C(=O)O1)(CC=C)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C15H16N2O2/c1-3-8-15(9-10(2)19-14(15)18)13-16-11-6-4-5-7-12(11)17-13/h3-7,10H,1,8-9H2,2H3,(H,16,17)
InChIKey
BNSQUNLBJBNLGW-UHFFFAOYSA-N
Compound name
3-(1H-benzimidazol-2-yl)-5-methyl-3-prop-2-enyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1212 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.128476 157.2
[M+Na]+ 279.110418 167.5
[M-H]- 255.113924 162.4
[M+NH4]+ 274.155023 176.4
[M+K]+ 295.084358 163.2
[M+H-H2O]+ 239.118460 150.6
[M+HCOO]- 301.119401 177.0
[M+CH3COO]- 315.135051 169.9
[M+Na-2H]- 277.095866 160.4
[M]+ 256.12065142 158.4
[M]- 256.12174858 158.4
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.