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]+ 234.14887 151.6
[M+Na]+ 256.13081 162.5
[M-H]- 232.13431 154.7
[M+NH4]+ 251.17541 173.8
[M+K]+ 272.10475 159.1
[M+H-H2O]+ 216.13885 147.2
[M+HCOO]- 278.13979 170.6
[M+CH3COO]- 292.15544 193.0
[M+Na-2H]- 254.11626 153.3
[M]+ 233.14104 153.9
[M]- 233.14214 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