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]+ 199.122966 146.9
[M+Na]+ 221.104908 158.7
[M-H]- 197.108414 149.6
[M+NH4]+ 216.149513 166.0
[M+K]+ 237.078848 153.1
[M+H-H2O]+ 181.112950 133.7
[M+HCOO]- 243.113891 166.2
[M+CH3COO]- 257.129541 199.0
[M+Na-2H]- 219.090356 151.3
[M]+ 198.11514142 144.3
[M]- 198.11623858 144.3
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.