CID 21931777

210552-24-2

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC1(C2=C(C=C(C=C2)O)N(C1=O)C)C
InChI
InChI=1S/C11H13NO2/c1-11(2)8-5-4-7(13)6-9(8)12(3)10(11)14/h4-6,13H,1-3H3
InChIKey
WZADRYDUBBGITL-UHFFFAOYSA-N
Compound name
6-hydroxy-1,3,3-trimethylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

191.09464 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 138.7
[M+Na]+ 214.083858 150.1
[M-H]- 190.087364 141.8
[M+NH4]+ 209.128463 162.2
[M+K]+ 230.057798 146.9
[M+H-H2O]+ 174.091900 134.2
[M+HCOO]- 236.092841 159.7
[M+CH3COO]- 250.108491 182.5
[M+Na-2H]- 212.069306 143.7
[M]+ 191.09409142 140.2
[M]- 191.09518858 140.2
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