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 146.9
[M+Na]+ 221.10491 158.7
[M-H]- 197.10841 149.6
[M+NH4]+ 216.14951 166.0
[M+K]+ 237.07885 153.1
[M+H-H2O]+ 181.11295 133.7
[M+HCOO]- 243.11389 166.2
[M+CH3COO]- 257.12954 199.0
[M+Na-2H]- 219.09036 151.3
[M]+ 198.11514 144.3
[M]- 198.11624 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.