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

39
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 151.3
[M+Na]+ 223.08418 163.1
[M-H]- 199.08768 152.0
[M+NH4]+ 218.12878 169.1
[M+K]+ 239.05812 157.0
[M+H-H2O]+ 183.09222 139.2
[M+HCOO]- 245.09316 167.7
[M+CH3COO]- 259.10881 193.1
[M+Na-2H]- 221.06963 156.7
[M]+ 200.09441 146.4
[M]- 200.09551 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