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

33
Patents

191.09464 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 138.7
[M+Na]+ 214.08386 150.1
[M-H]- 190.08736 141.8
[M+NH4]+ 209.12846 162.2
[M+K]+ 230.05780 146.9
[M+H-H2O]+ 174.09190 134.2
[M+HCOO]- 236.09284 159.7
[M+CH3COO]- 250.10849 182.5
[M+Na-2H]- 212.06931 143.7
[M]+ 191.09409 140.2
[M]- 191.09519 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