CID 605015

4-(oxiran-2-ylmethoxy)-1h-indole

Structural Information

Molecular Formula
C11H11NO2
SMILES
C1C(O1)COC2=CC=CC3=C2C=CN3
InChI
InChI=1S/C11H11NO2/c1-2-10-9(4-5-12-10)11(3-1)14-7-8-6-13-8/h1-5,8,12H,6-7H2
InChIKey
CTWQPSSVUYPWOM-UHFFFAOYSA-N
Compound name
4-(oxiran-2-ylmethoxy)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

298
Patents

189.07898 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.086256 137.7
[M+Na]+ 212.068198 149.2
[M-H]- 188.071704 144.6
[M+NH4]+ 207.112803 152.3
[M+K]+ 228.042138 145.9
[M+H-H2O]+ 172.076240 131.1
[M+HCOO]- 234.077181 160.6
[M+CH3COO]- 248.092831 151.6
[M+Na-2H]- 210.053646 146.2
[M]+ 189.07843142 142.8
[M]- 189.07952858 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