CID 37819073

1000576-51-1

Structural Information

Molecular Formula
C11H8N2O2
SMILES
COC(=O)C1=CC2=C(C=C1)C(=CN2)C#N
InChI
InChI=1S/C11H8N2O2/c1-15-11(14)7-2-3-9-8(5-12)6-13-10(9)4-7/h2-4,6,13H,1H3
InChIKey
YBZVEPCMUWGFNW-UHFFFAOYSA-N
Compound name
methyl 3-cyano-1H-indole-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

200.05858 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.065856 145.5
[M+Na]+ 223.047798 157.7
[M-H]- 199.051304 147.3
[M+NH4]+ 218.092403 163.6
[M+K]+ 239.021738 152.4
[M+H-H2O]+ 183.055840 132.6
[M+HCOO]- 245.056781 164.5
[M+CH3COO]- 259.072431 193.6
[M+Na-2H]- 221.033246 150.3
[M]+ 200.05803142 142.3
[M]- 200.05912858 142.3
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