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]+ 248.16451 155.0
[M+Na]+ 270.14645 166.3
[M-H]- 246.14995 158.3
[M+NH4]+ 265.19105 176.9
[M+K]+ 286.12039 162.8
[M+H-H2O]+ 230.15449 150.8
[M+HCOO]- 292.15543 173.6
[M+CH3COO]- 306.17108 197.4
[M+Na-2H]- 268.13190 155.6
[M]+ 247.15668 158.1
[M]- 247.15778 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