CID 10330149

Methyl 5-amino-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C10H10N2O2
SMILES
COC(=O)C1=CC2=C(N1)C=CC(=C2)N
InChI
InChI=1S/C10H10N2O2/c1-14-10(13)9-5-6-4-7(11)2-3-8(6)12-9/h2-5,12H,11H2,1H3
InChIKey
KRPDKDKJKIBCBX-UHFFFAOYSA-N
Compound name
methyl 5-amino-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
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 138.2
[M+Na]+ 213.06345 148.1
[M-H]- 189.06695 140.7
[M+NH4]+ 208.10805 158.6
[M+K]+ 229.03739 144.7
[M+H-H2O]+ 173.07149 132.1
[M+HCOO]- 235.07243 161.8
[M+CH3COO]- 249.08808 181.5
[M+Na-2H]- 211.04890 143.9
[M]+ 190.07368 138.7
[M]- 190.07478 138.7
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