CID 340639

82501-28-8

Structural Information

Molecular Formula
C14H13NO2
SMILES
CC(C)(C)C1=C2C(=NO1)C3=CC=CC=C3C2=O
InChI
InChI=1S/C14H13NO2/c1-14(2,3)13-10-11(15-17-13)8-6-4-5-7-9(8)12(10)16/h4-7H,1-3H3
InChIKey
OUEKKOGWBXIRDO-UHFFFAOYSA-N
Compound name
3-tert-butylindeno[1,2-c][1,2]oxazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.09464 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.10192 150.9
[M+Na]+ 250.08386 162.4
[M-H]- 226.08736 157.0
[M+NH4]+ 245.12846 173.0
[M+K]+ 266.05780 160.0
[M+H-H2O]+ 210.09190 146.5
[M+HCOO]- 272.09284 171.9
[M+CH3COO]- 286.10849 190.6
[M+Na-2H]- 248.06931 156.7
[M]+ 227.09409 155.7
[M]- 227.09519 155.7
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

No patent data available for this compound.