CID 11205953

29879-70-7

Structural Information

Molecular Formula
C9H9NO2
SMILES
CC1(C2=CC=CC=C2C(=O)N1)O
InChI
InChI=1S/C9H9NO2/c1-9(12)7-5-3-2-4-6(7)8(11)10-9/h2-5,12H,1H3,(H,10,11)
InChIKey
IUXUJCWMVNQJON-UHFFFAOYSA-N
Compound name
3-hydroxy-3-methyl-2H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

163.06332 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 132.0
[M+Na]+ 186.05254 142.1
[M-H]- 162.05604 133.3
[M+NH4]+ 181.09714 155.3
[M+K]+ 202.02648 138.3
[M+H-H2O]+ 146.06058 127.4
[M+HCOO]- 208.06152 152.2
[M+CH3COO]- 222.07717 171.5
[M+Na-2H]- 184.03799 138.8
[M]+ 163.06277 130.1
[M]- 163.06387 130.1
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