CID 12361768

Methyl indole-1-carboxylate

Structural Information

Molecular Formula
C10H9NO2
SMILES
COC(=O)N1C=CC2=CC=CC=C21
InChI
InChI=1S/C10H9NO2/c1-13-10(12)11-7-6-8-4-2-3-5-9(8)11/h2-7H,1H3
InChIKey
FHOPBCYBMWVMGJ-UHFFFAOYSA-N
Compound name
methyl indole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

137
Patents

175.06332 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 133.9
[M+Na]+ 198.05254 144.4
[M-H]- 174.05604 138.0
[M+NH4]+ 193.09714 156.0
[M+K]+ 214.02648 142.2
[M+H-H2O]+ 158.06058 127.8
[M+HCOO]- 220.06152 158.7
[M+CH3COO]- 234.07717 177.9
[M+Na-2H]- 196.03799 141.3
[M]+ 175.06277 137.5
[M]- 175.06387 137.5
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

patents stripe