CID 4651154

Cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C12H15NO2
SMILES
C1CC1C(C2=CC3=C(C=C2)OCCO3)N
InChI
InChI=1S/C12H15NO2/c13-12(8-1-2-8)9-3-4-10-11(7-9)15-6-5-14-10/h3-4,7-8,12H,1-2,5-6,13H2
InChIKey
UZOVCJLWNHBMIQ-UHFFFAOYSA-N
Compound name
cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 142.3
[M+Na]+ 228.09950 150.0
[M-H]- 204.10300 151.1
[M+NH4]+ 223.14410 154.3
[M+K]+ 244.07344 149.5
[M+H-H2O]+ 188.10754 135.1
[M+HCOO]- 250.10848 161.2
[M+CH3COO]- 264.12413 154.7
[M+Na-2H]- 226.08495 149.8
[M]+ 205.10973 142.8
[M]- 205.11083 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

No patent data available for this compound.