CID 15483079

2,3-dimethyl-1h-indole-5-carbonitrile

Structural Information

Molecular Formula
C11H10N2
SMILES
CC1=C(NC2=C1C=C(C=C2)C#N)C
InChI
InChI=1S/C11H10N2/c1-7-8(2)13-11-4-3-9(6-12)5-10(7)11/h3-5,13H,1-2H3
InChIKey
MAQQEXCJSLDJFC-UHFFFAOYSA-N
Compound name
2,3-dimethyl-1H-indole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

170.0844 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.091676 138.6
[M+Na]+ 193.073618 151.9
[M-H]- 169.077124 140.7
[M+NH4]+ 188.118223 158.4
[M+K]+ 209.047558 145.7
[M+H-H2O]+ 153.081660 126.2
[M+HCOO]- 215.082601 158.0
[M+CH3COO]- 229.098251 151.3
[M+Na-2H]- 191.059066 144.0
[M]+ 170.08385142 134.6
[M]- 170.08494858 134.6
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