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

34
Patents

200.09496 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.102236 151.3
[M+Na]+ 223.084178 163.1
[M-H]- 199.087684 152.0
[M+NH4]+ 218.128783 169.1
[M+K]+ 239.058118 157.0
[M+H-H2O]+ 183.092220 139.2
[M+HCOO]- 245.093161 167.7
[M+CH3COO]- 259.108811 193.1
[M+Na-2H]- 221.069626 156.7
[M]+ 200.09441142 146.4
[M]- 200.09550858 146.4
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