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

4
Patents

170.0844 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.09168 138.7
[M+Na]+ 193.07362 151.2
[M-H]- 169.07712 140.4
[M+NH4]+ 188.11822 158.2
[M+K]+ 209.04756 144.9
[M+H-H2O]+ 153.08166 126.0
[M+HCOO]- 215.08260 158.2
[M+CH3COO]- 229.09825 151.1
[M+Na-2H]- 191.05907 144.7
[M]+ 170.08385 134.4
[M]- 170.08495 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