CID 2802388

2-(2-methyl-1h-indol-3-yl)acetonitrile

Structural Information

Molecular Formula
C11H10N2
SMILES
CC1=C(C2=CC=CC=C2N1)CC#N
InChI
InChI=1S/C11H10N2/c1-8-9(6-7-12)10-4-2-3-5-11(10)13-8/h2-5,13H,6H2,1H3
InChIKey
BBQKWCPGVNOHCK-UHFFFAOYSA-N
Compound name
2-(2-methyl-1H-indol-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

5
Patents

170.0844 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.091676 138.7
[M+Na]+ 193.073618 151.2
[M-H]- 169.077124 140.4
[M+NH4]+ 188.118223 158.2
[M+K]+ 209.047558 144.9
[M+H-H2O]+ 153.081660 126.0
[M+HCOO]- 215.082601 158.2
[M+CH3COO]- 229.098251 151.1
[M+Na-2H]- 191.059066 144.7
[M]+ 170.08385142 134.4
[M]- 170.08494858 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe