CID 7141888

Methyl 6-cyano-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C11H8N2O2
SMILES
COC(=O)C1=CC2=C(N1)C=C(C=C2)C#N
InChI
InChI=1S/C11H8N2O2/c1-15-11(14)10-5-8-3-2-7(6-12)4-9(8)13-10/h2-5,13H,1H3
InChIKey
VDOVWALYWVUEQR-UHFFFAOYSA-N
Compound name
methyl 6-cyano-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

200.05858 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06586 145.5
[M+Na]+ 223.04780 157.7
[M-H]- 199.05130 147.3
[M+NH4]+ 218.09240 163.6
[M+K]+ 239.02174 152.4
[M+H-H2O]+ 183.05584 132.6
[M+HCOO]- 245.05678 164.5
[M+CH3COO]- 259.07243 193.6
[M+Na-2H]- 221.03325 150.3
[M]+ 200.05803 142.3
[M]- 200.05913 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