CID 382327

Nsc669796

Structural Information

Molecular Formula
C14H19NO2
SMILES
CC1=CC2=C(C(=C1O)C)C(CN2C(=O)C)(C)C
InChI
InChI=1S/C14H19NO2/c1-8-6-11-12(9(2)13(8)17)14(4,5)7-15(11)10(3)16/h6,17H,7H2,1-5H3
InChIKey
ZPAGQZCYDDROJP-UHFFFAOYSA-N
Compound name
1-(5-hydroxy-3,3,4,6-tetramethyl-2H-indol-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

233.14159 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.148866 151.6
[M+Na]+ 256.130808 162.5
[M-H]- 232.134314 154.7
[M+NH4]+ 251.175413 173.8
[M+K]+ 272.104748 159.1
[M+H-H2O]+ 216.138850 147.2
[M+HCOO]- 278.139791 170.6
[M+CH3COO]- 292.155441 193.0
[M+Na-2H]- 254.116256 153.3
[M]+ 233.14104142 153.9
[M]- 233.14213858 153.9
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