CID 164235

1h-indene-2-carbonitrile, 3-(1,1-dimethylpropyl)-1-oxo-

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

708
Patents

225.11537 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12265 152.0
[M+Na]+ 248.10459 164.1
[M+NH4]+ 243.14919 157.2
[M+K]+ 264.07853 155.8
[M-H]- 224.10809 146.5
[M+Na-2H]- 246.09004 154.7
[M]+ 225.11482 151.4
[M]- 225.11592 151.4
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