CID 16217429

(3r)-(+)-3-(1-methyl-1h-indol-3-yl)butanenitrile

Structural Information

Molecular Formula
C13H14N2
SMILES
C[C@H](CC#N)C1=CN(C2=CC=CC=C21)C
InChI
InChI=1S/C13H14N2/c1-10(7-8-14)12-9-15(2)13-6-4-3-5-11(12)13/h3-6,9-10H,7H2,1-2H3/t10-/m1/s1
InChIKey
JWGJENJOKQETPV-SNVBAGLBSA-N
Compound name
(3R)-3-(1-methylindol-3-yl)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.11569 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12297 145.4
[M+Na]+ 221.10491 158.6
[M+NH4]+ 216.14951 151.0
[M+K]+ 237.07885 149.6
[M-H]- 197.10841 140.4
[M+Na-2H]- 219.09036 149.3
[M]+ 198.11514 145.1
[M]- 198.11624 145.1
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

No patent data available for this compound.