CID 641846

73323-91-8

Structural Information

Molecular Formula
C11H11NO3
SMILES
C[C@H](CO)N1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C11H11NO3/c1-7(6-13)12-10(14)8-4-2-3-5-9(8)11(12)15/h2-5,7,13H,6H2,1H3/t7-/m1/s1
InChIKey
KYTIHOIDWMVRKU-SSDOTTSWSA-N
Compound name
2-[(2R)-1-hydroxypropan-2-yl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

205.0739 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 142.4
[M+Na]+ 228.06312 151.7
[M-H]- 204.06662 144.8
[M+NH4]+ 223.10772 162.6
[M+K]+ 244.03706 148.8
[M+H-H2O]+ 188.07116 136.8
[M+HCOO]- 250.07210 162.7
[M+CH3COO]- 264.08775 183.9
[M+Na-2H]- 226.04857 145.6
[M]+ 205.07335 143.2
[M]- 205.07445 143.2
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