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
(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]+ 192.10192 138.5
[M+Na]+ 214.08386 147.8
[M-H]- 190.08736 147.8
[M+NH4]+ 209.12846 151.5
[M+K]+ 230.05780 147.0
[M+H-H2O]+ 174.09190 131.6
[M+HCOO]- 236.09284 158.6
[M+CH3COO]- 250.10849 151.8
[M+Na-2H]- 212.06931 147.0
[M]+ 191.09409 139.7
[M]- 191.09519 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.