CID 117273188

Methyl 5-amino-1h-indole-6-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H10N2O2
SMILES
COC(=O)C1=C(C=C2C=CNC2=C1)N
InChI
InChI=1S/C10H10N2O2/c1-14-10(13)7-5-9-6(2-3-12-9)4-8(7)11/h2-5,12H,11H2,1H3
InChIKey
BUEHYNPNQVZAJA-UHFFFAOYSA-N
Compound name
methyl 5-amino-1H-indole-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

190.07423 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 138.6
[M+Na]+ 213.06345 150.3
[M+NH4]+ 208.10805 146.3
[M+K]+ 229.03739 147.0
[M-H]- 189.06695 139.7
[M+Na-2H]- 211.04890 143.9
[M]+ 190.07368 140.3
[M]- 190.07478 140.3
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