CID 504235

2-(4-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione

Structural Information

Molecular Formula
C15H13NO3
SMILES
C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)O
InChI
InChI=1S/C15H13NO3/c17-11-5-3-10(4-6-11)16-14(18)12-8-1-2-9(7-8)13(12)15(16)19/h1-6,8-9,12-13,17H,7H2
InChIKey
XOTYSWSIKRFMRI-UHFFFAOYSA-N
Compound name
4-(4-hydroxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

41
Patents

255.08954 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09682 157.0
[M+Na]+ 278.07876 167.0
[M-H]- 254.08226 163.0
[M+NH4]+ 273.12336 180.3
[M+K]+ 294.05270 162.5
[M+H-H2O]+ 238.08680 152.8
[M+HCOO]- 300.08774 176.6
[M+CH3COO]- 314.10339 170.0
[M+Na-2H]- 276.06421 156.5
[M]+ 255.08899 157.9
[M]- 255.09009 157.9
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.