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]+ 248.16451 158.8
[M+Na]+ 270.14645 168.0
[M-H]- 246.14995 161.1
[M+NH4]+ 265.19105 179.9
[M+K]+ 286.12039 164.4
[M+H-H2O]+ 230.15449 154.0
[M+HCOO]- 292.15543 176.8
[M+CH3COO]- 306.17108 193.0
[M+Na-2H]- 268.13190 163.2
[M]+ 247.15668 160.8
[M]- 247.15778 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.