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

literature stripe

Patent stripe

patents stripe