CID 122360485

1955524-06-7

Structural Information

Molecular Formula
C17H17NO3
SMILES
CC1=C(C(=NO1)C)C2=CC3=C(C=C2)C4(CC3)CC4C(=O)O
InChI
InChI=1S/C17H17NO3/c1-9-15(10(2)21-18-9)12-3-4-13-11(7-12)5-6-17(13)8-14(17)16(19)20/h3-4,7,14H,5-6,8H2,1-2H3,(H,19,20)
InChIKey
OCGFWKXKDCTPME-UHFFFAOYSA-N
Compound name
6-(3,5-dimethyl-1,2-oxazol-4-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.12085 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12813 163.4
[M+Na]+ 306.11007 175.3
[M-H]- 282.11357 172.9
[M+NH4]+ 301.15467 178.5
[M+K]+ 322.08401 171.3
[M+H-H2O]+ 266.11811 158.6
[M+HCOO]- 328.11905 182.2
[M+CH3COO]- 342.13470 176.1
[M+Na-2H]- 304.09552 165.0
[M]+ 283.12030 168.7
[M]- 283.12140 168.7
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.