CID 393198

Nsc694686

Structural Information

Molecular Formula
C15H19NO2
SMILES
CC(C)(C)C1(C2=CC=CC=C2N(C1=O)C)CC=O
InChI
InChI=1S/C15H19NO2/c1-14(2,3)15(9-10-17)11-7-5-6-8-12(11)16(4)13(15)18/h5-8,10H,9H2,1-4H3
InChIKey
ZSLXJJFXYKBEKK-UHFFFAOYSA-N
Compound name
2-(3-tert-butyl-1-methyl-2-oxoindol-3-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.14159 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.148866 156.5
[M+Na]+ 268.130808 166.5
[M-H]- 244.134314 160.3
[M+NH4]+ 263.175413 178.3
[M+K]+ 284.104748 163.1
[M+H-H2O]+ 228.138850 151.5
[M+HCOO]- 290.139791 176.3
[M+CH3COO]- 304.155441 194.7
[M+Na-2H]- 266.116256 161.4
[M]+ 245.14104142 159.6
[M]- 245.14213858 159.6
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.