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]+ 246.14887 156.5
[M+Na]+ 268.13081 166.5
[M-H]- 244.13431 160.3
[M+NH4]+ 263.17541 178.3
[M+K]+ 284.10475 163.1
[M+H-H2O]+ 228.13885 151.5
[M+HCOO]- 290.13979 176.3
[M+CH3COO]- 304.15544 194.7
[M+Na-2H]- 266.11626 161.4
[M]+ 245.14104 159.6
[M]- 245.14214 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.