CID 36021

Alpha-allyl-alpha-benzimidazolyl-gamma-methyl-gamma-butyrolactone

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]+ 257.12848 157.2
[M+Na]+ 279.11042 167.5
[M-H]- 255.11392 162.4
[M+NH4]+ 274.15502 176.4
[M+K]+ 295.08436 163.2
[M+H-H2O]+ 239.11846 150.6
[M+HCOO]- 301.11940 177.0
[M+CH3COO]- 315.13505 169.9
[M+Na-2H]- 277.09587 160.4
[M]+ 256.12065 158.4
[M]- 256.12175 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.