CID 70310067

6-hydroxy-2-methylisoindolin-1-one

Structural Information

Molecular Formula
C9H9NO2
SMILES
CN1CC2=C(C1=O)C=C(C=C2)O
InChI
InChI=1S/C9H9NO2/c1-10-5-6-2-3-7(11)4-8(6)9(10)12/h2-4,11H,5H2,1H3
InChIKey
NSDPMSCJMHMIKP-UHFFFAOYSA-N
Compound name
6-hydroxy-2-methyl-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

163.06332 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 131.1
[M+Na]+ 186.05254 141.5
[M-H]- 162.05604 133.8
[M+NH4]+ 181.09714 153.3
[M+K]+ 202.02648 138.6
[M+H-H2O]+ 146.06058 125.9
[M+HCOO]- 208.06152 152.7
[M+CH3COO]- 222.07717 175.7
[M+Na-2H]- 184.03799 136.5
[M]+ 163.06277 131.1
[M]- 163.06387 131.1
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