CID 66834173

2-(2-hydroxypropan-2-yl)-1h-indole-6-carbonitrile

Structural Information

Molecular Formula
C12H12N2O
SMILES
CC(C)(C1=CC2=C(N1)C=C(C=C2)C#N)O
InChI
InChI=1S/C12H12N2O/c1-12(2,15)11-6-9-4-3-8(7-13)5-10(9)14-11/h3-6,14-15H,1-2H3
InChIKey
HJTVAAODOXTIDT-UHFFFAOYSA-N
Compound name
2-(2-hydroxypropan-2-yl)-1H-indole-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

200.09496 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10224 145.5
[M+Na]+ 223.08418 157.4
[M+NH4]+ 218.12878 150.0
[M+K]+ 239.05812 150.1
[M-H]- 199.08768 138.8
[M+Na-2H]- 221.06963 148.4
[M]+ 200.09441 144.5
[M]- 200.09551 144.5
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