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]+ 227.081506 155.8
[M+Na]+ 249.063448 166.5
[M-H]- 225.066954 157.0
[M+NH4]+ 244.108053 172.6
[M+K]+ 265.037388 160.5
[M+H-H2O]+ 209.071490 142.4
[M+HCOO]- 271.072431 173.4
[M+CH3COO]- 285.088081 197.3
[M+Na-2H]- 247.048896 158.9
[M]+ 226.07368142 151.6
[M]- 226.07477858 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.