CID 10954036

135969-64-1

Structural Information

Molecular Formula
C10H9NO2
SMILES
C1[C@@H]2[C@H](C3=CC=CC=C31)NC(=O)O2
InChI
InChI=1S/C10H9NO2/c12-10-11-9-7-4-2-1-3-6(7)5-8(9)13-10/h1-4,8-9H,5H2,(H,11,12)/t8-,9+/m1/s1
InChIKey
XWZLNPUWNUTPAU-BDAKNGLRSA-N
Compound name
(3aR,8bS)-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

175.06332 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.070596 134.0
[M+Na]+ 198.052538 143.4
[M-H]- 174.056044 137.8
[M+NH4]+ 193.097143 156.7
[M+K]+ 214.026478 140.8
[M+H-H2O]+ 158.060580 129.2
[M+HCOO]- 220.061521 153.5
[M+CH3COO]- 234.077171 147.9
[M+Na-2H]- 196.037986 139.3
[M]+ 175.06277142 132.8
[M]- 175.06386858 132.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe