CID 58852

(3-indolyl)propenylidenemalononitrile

Structural Information

Molecular Formula
C14H11N3
SMILES
C1=CC=C2C(=C1)C(=CN2)CCC=C(C#N)C#N
InChI
InChI=1S/C14H11N3/c15-8-11(9-16)4-3-5-12-10-17-14-7-2-1-6-13(12)14/h1-2,4,6-7,10,17H,3,5H2
InChIKey
IIANQTNBCMWVJB-UHFFFAOYSA-N
Compound name
2-[3-(1H-indol-3-yl)propylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.09529 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.10257 177.9
[M+Na]+ 244.08451 186.7
[M+NH4]+ 239.12911 178.4
[M+K]+ 260.05845 176.0
[M-H]- 220.08801 167.4
[M+Na-2H]- 242.06996 176.5
[M]+ 221.09474 174.9
[M]- 221.09584 174.9
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.