CID 1809150

123770-84-3

Structural Information

Molecular Formula
C13H10N2O2
SMILES
COC(=O)/C(=C\C1=CNC2=CC=CC=C21)/C#N
InChI
InChI=1S/C13H10N2O2/c1-17-13(16)9(7-14)6-10-8-15-12-5-3-2-4-11(10)12/h2-6,8,15H,1H3/b9-6-
InChIKey
JRKWEDQGUNBTEE-TWGQIWQCSA-N
Compound name
methyl (Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

226.07423 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08151 155.8
[M+Na]+ 249.06345 166.5
[M-H]- 225.06695 157.0
[M+NH4]+ 244.10805 172.6
[M+K]+ 265.03739 160.5
[M+H-H2O]+ 209.07149 142.4
[M+HCOO]- 271.07243 173.4
[M+CH3COO]- 285.08808 197.3
[M+Na-2H]- 247.04890 158.9
[M]+ 226.07368 151.6
[M]- 226.07478 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.