CID 164235

127026-22-6

Structural Information

Molecular Formula
C15H15NO
SMILES
CCC(C)(C)C1=C(C(=O)C2=CC=CC=C21)C#N
InChI
InChI=1S/C15H15NO/c1-4-15(2,3)13-10-7-5-6-8-11(10)14(17)12(13)9-16/h5-8H,4H2,1-3H3
InChIKey
WWXYVYUCPQOVAM-UHFFFAOYSA-N
Compound name
1-(2-methylbutan-2-yl)-3-oxoindene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

978
Patents

225.11537 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.122646 157.7
[M+Na]+ 248.104588 169.8
[M-H]- 224.108094 162.2
[M+NH4]+ 243.149193 177.4
[M+K]+ 264.078528 163.8
[M+H-H2O]+ 208.112630 146.2
[M+HCOO]- 270.113571 176.3
[M+CH3COO]- 284.129221 203.9
[M+Na-2H]- 246.090036 161.4
[M]+ 225.11482142 155.2
[M]- 225.11591858 155.2
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