CID 43308922

Methyl 2-(6-amino-1h-indol-1-yl)acetate hydrochloride

Structural Information

Molecular Formula
C11H12N2O2
SMILES
COC(=O)CN1C=CC2=C1C=C(C=C2)N
InChI
InChI=1S/C11H12N2O2/c1-15-11(14)7-13-5-4-8-2-3-9(12)6-10(8)13/h2-6H,7,12H2,1H3
InChIKey
ISXUGEHIFOOHIF-UHFFFAOYSA-N
Compound name
methyl 2-(6-aminoindol-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

204.08987 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 142.5
[M+Na]+ 227.07909 152.4
[M-H]- 203.08259 146.2
[M+NH4]+ 222.12369 163.0
[M+K]+ 243.05303 149.6
[M+H-H2O]+ 187.08713 136.0
[M+HCOO]- 249.08807 167.3
[M+CH3COO]- 263.10372 187.0
[M+Na-2H]- 225.06454 148.1
[M]+ 204.08932 145.2
[M]- 204.09042 145.2
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