CID 384622

2-cyano-n-[2-(1h-indol-3-yl)ethyl]acetamide

Structural Information

Molecular Formula
C13H13N3O
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CC#N
InChI
InChI=1S/C13H13N3O/c14-7-5-13(17)15-8-6-10-9-16-12-4-2-1-3-11(10)12/h1-4,9,16H,5-6,8H2,(H,15,17)
InChIKey
JKKUAODPKMDWHF-UHFFFAOYSA-N
Compound name
2-cyano-N-[2-(1H-indol-3-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

227.10587 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.11315 155.4
[M+Na]+ 250.09509 165.1
[M-H]- 226.09859 156.3
[M+NH4]+ 245.13969 171.8
[M+K]+ 266.06903 158.9
[M+H-H2O]+ 210.10313 141.5
[M+HCOO]- 272.10407 174.4
[M+CH3COO]- 286.11972 200.5
[M+Na-2H]- 248.08054 160.1
[M]+ 227.10532 150.4
[M]- 227.10642 150.4
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

patents stripe