CID 1551277

Nsc10091

Structural Information

Molecular Formula
C14H12N2O2
SMILES
CCOC(=O)/C(=C\C1=CNC2=CC=CC=C21)/C#N
InChI
InChI=1S/C14H12N2O2/c1-2-18-14(17)10(8-15)7-11-9-16-13-6-4-3-5-12(11)13/h3-7,9,16H,2H2,1H3/b10-7-
InChIKey
XDRLIASMKGKPDX-YFHOEESVSA-N
Compound name
ethyl (Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

240.08987 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.097146 159.9
[M+Na]+ 263.079088 170.1
[M-H]- 239.082594 160.9
[M+NH4]+ 258.123693 176.1
[M+K]+ 279.053028 163.9
[M+H-H2O]+ 223.087130 146.2
[M+HCOO]- 285.088071 177.1
[M+CH3COO]- 299.103721 200.0
[M+Na-2H]- 261.064536 162.5
[M]+ 240.08932142 155.9
[M]- 240.09041858 155.9
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

patents stripe