CID 36483

5,6,7,8-tetrahydronaphtho(2,3-d)-1,3-dioxol-6-amine hydrochloride

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1CC2=CC3=C(C=C2CC1N)OCO3
InChI
InChI=1S/C11H13NO2/c12-9-2-1-7-4-10-11(14-6-13-10)5-8(7)3-9/h4-5,9H,1-3,6,12H2
InChIKey
AWSBQWZZLBPUQH-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9100
Patents

191.09464 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 137.7
[M+Na]+ 214.08386 145.2
[M-H]- 190.08736 143.7
[M+NH4]+ 209.12846 158.1
[M+K]+ 230.05780 144.4
[M+H-H2O]+ 174.09190 132.5
[M+HCOO]- 236.09284 156.7
[M+CH3COO]- 250.10849 151.1
[M+Na-2H]- 212.06931 145.1
[M]+ 191.09409 135.6
[M]- 191.09519 135.6
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