CID 213547

Brn 0917709

Structural Information

Molecular Formula
C17H15NO
SMILES
CC1=CC=C(C=C1)C2=NOC3C2CC4=CC=CC=C34
InChI
InChI=1S/C17H15NO/c1-11-6-8-12(9-7-11)16-15-10-13-4-2-3-5-14(13)17(15)19-18-16/h2-9,15,17H,10H2,1H3
InChIKey
CTOXHRZUUTVAFF-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)-4,8b-dihydro-3aH-indeno[2,1-d][1,2]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.11537 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12265 155.8
[M+Na]+ 272.10459 165.8
[M-H]- 248.10809 164.4
[M+NH4]+ 267.14919 176.3
[M+K]+ 288.07853 161.7
[M+H-H2O]+ 232.11263 149.3
[M+HCOO]- 294.11357 177.0
[M+CH3COO]- 308.12922 169.4
[M+Na-2H]- 270.09004 159.7
[M]+ 249.11482 157.5
[M]- 249.11592 157.5
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

patents stripe