CID 393195

Nsc694683

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC(C)(C)C1(C2=CC=CC=C2N(C1=O)C)CCO
InChI
InChI=1S/C15H21NO2/c1-14(2,3)15(9-10-17)11-7-5-6-8-12(11)16(4)13(15)18/h5-8,17H,9-10H2,1-4H3
InChIKey
IBMGYCUDJIBLPX-UHFFFAOYSA-N
Compound name
3-tert-butyl-3-(2-hydroxyethyl)-1-methylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 158.8
[M+Na]+ 270.146448 168.0
[M-H]- 246.149954 161.1
[M+NH4]+ 265.191053 179.9
[M+K]+ 286.120388 164.4
[M+H-H2O]+ 230.154490 154.0
[M+HCOO]- 292.155431 176.8
[M+CH3COO]- 306.171081 193.0
[M+Na-2H]- 268.131896 163.2
[M]+ 247.15668142 160.8
[M]- 247.15777858 160.8
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

No patent data available for this compound.