CID 11084207

3-hydroxy-1-methyl-2,3-dihydro-1h-indol-2-one

Structural Information

Molecular Formula
C9H9NO2
SMILES
CN1C2=CC=CC=C2C(C1=O)O
InChI
InChI=1S/C9H9NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5,8,11H,1H3
InChIKey
KNLWAPGJCIOBDC-UHFFFAOYSA-N
Compound name
3-hydroxy-1-methyl-3H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 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

literature stripe

Patent stripe

patents stripe