CID 84045743

1780043-24-4

Structural Information

Molecular Formula
C10H12BrNO2
SMILES
CC1(OC2=C(O1)C=C(C(=C2)CN)Br)C
InChI
InChI=1S/C10H12BrNO2/c1-10(2)13-8-3-6(5-12)7(11)4-9(8)14-10/h3-4H,5,12H2,1-2H3
InChIKey
MUQFEKCVBXHBIK-UHFFFAOYSA-N
Compound name
(6-bromo-2,2-dimethyl-1,3-benzodioxol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.00513 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.01241 151.8
[M+Na]+ 279.99435 154.5
[M+NH4]+ 275.03895 158.1
[M+K]+ 295.96829 155.0
[M-H]- 255.99785 154.9
[M+Na-2H]- 277.97980 153.6
[M]+ 257.00458 152.1
[M]- 257.00568 152.1
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.