CID 382330

Nsc669799

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC1=C(C(=C(C2=C1N(CC2(C)C)C(=O)C)C)O)C
InChI
InChI=1S/C15H21NO2/c1-8-9(2)14(18)10(3)12-13(8)16(11(4)17)7-15(12,5)6/h18H,7H2,1-6H3
InChIKey
XEZMKIIIVUIQCL-UHFFFAOYSA-N
Compound name
1-(5-hydroxy-3,3,4,6,7-pentamethyl-2H-indol-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

247.15723 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 155.0
[M+Na]+ 270.146448 166.3
[M-H]- 246.149954 158.3
[M+NH4]+ 265.191053 176.9
[M+K]+ 286.120388 162.8
[M+H-H2O]+ 230.154490 150.8
[M+HCOO]- 292.155431 173.6
[M+CH3COO]- 306.171081 197.4
[M+Na-2H]- 268.131896 155.6
[M]+ 247.15668142 158.1
[M]- 247.15777858 158.1
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