CID 125558

132741-81-2

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1C(CC2=CC3=C(C=C21)OCO3)N
InChI
InChI=1S/C10H11NO2/c11-8-1-6-3-9-10(13-5-12-9)4-7(6)2-8/h3-4,8H,1-2,5,11H2
InChIKey
FQDRMHHCWZAXJM-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

223
Patents

177.07898 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 134.3
[M+Na]+ 200.06820 145.2
[M+NH4]+ 195.11280 144.3
[M+K]+ 216.04214 143.7
[M-H]- 176.07170 139.6
[M+Na-2H]- 198.05365 137.1
[M]+ 177.07843 137.2
[M]- 177.07953 137.2
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