CID 137935234

Rac-(1r,2s)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-amine hydrochloride

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1COC2=C(C=CC=C2O1)[C@@H]3C[C@H]3N
InChI
InChI=1S/C11H13NO2/c12-9-6-8(9)7-2-1-3-10-11(7)14-5-4-13-10/h1-3,8-9H,4-6,12H2/t8-,9+/m0/s1
InChIKey
DSARUSZRNQLYFX-DTWKUNHWSA-N
Compound name
trans-(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09464 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 138.5
[M+Na]+ 214.083858 147.8
[M-H]- 190.087364 147.8
[M+NH4]+ 209.128463 151.5
[M+K]+ 230.057798 147.0
[M+H-H2O]+ 174.091900 131.6
[M+HCOO]- 236.092841 158.6
[M+CH3COO]- 250.108491 151.8
[M+Na-2H]- 212.069306 147.0
[M]+ 191.09409142 139.7
[M]- 191.09518858 139.7
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

No patent data available for this compound.