CID 21327268

6-[(oxiran-2-yl)methoxy]-1h-indole

Structural Information

Molecular Formula
C11H11NO2
SMILES
C1C(O1)COC2=CC3=C(C=C2)C=CN3
InChI
InChI=1S/C11H11NO2/c1-2-9(13-6-10-7-14-10)5-11-8(1)3-4-12-11/h1-5,10,12H,6-7H2
InChIKey
FNAUUGIPMZMODT-UHFFFAOYSA-N
Compound name
6-(oxiran-2-ylmethoxy)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

189.07898 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 137.7
[M+Na]+ 212.06820 149.2
[M-H]- 188.07170 144.6
[M+NH4]+ 207.11280 152.3
[M+K]+ 228.04214 145.9
[M+H-H2O]+ 172.07624 131.1
[M+HCOO]- 234.07718 160.6
[M+CH3COO]- 248.09283 151.6
[M+Na-2H]- 210.05365 146.2
[M]+ 189.07843 142.8
[M]- 189.07953 142.8
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