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

3
Patents

170.0844 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.09168 138.6
[M+Na]+ 193.07362 151.9
[M-H]- 169.07712 140.7
[M+NH4]+ 188.11822 158.4
[M+K]+ 209.04756 145.7
[M+H-H2O]+ 153.08166 126.2
[M+HCOO]- 215.08260 158.0
[M+CH3COO]- 229.09825 151.3
[M+Na-2H]- 191.05907 144.0
[M]+ 170.08385 134.6
[M]- 170.08495 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