CID 42666

58178-41-9

Structural Information

Molecular Formula
C13H15NO3
SMILES
CC1(CC(C(=O)O1)NC(=O)C2=CC=CC=C2)C
InChI
InChI=1S/C13H15NO3/c1-13(2)8-10(12(16)17-13)14-11(15)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,14,15)
InChIKey
YYYXENLJYDGFER-UHFFFAOYSA-N
Compound name
N-(5,5-dimethyl-2-oxooxolan-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.1052 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11248 150.6
[M+Na]+ 256.09442 157.8
[M-H]- 232.09792 158.3
[M+NH4]+ 251.13902 170.6
[M+K]+ 272.06836 156.8
[M+H-H2O]+ 216.10246 145.0
[M+HCOO]- 278.10340 173.5
[M+CH3COO]- 292.11905 191.0
[M+Na-2H]- 254.07987 154.9
[M]+ 233.10465 150.6
[M]- 233.10575 150.6
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.