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 150.4
[M+Na]+ 279.99435 163.4
[M-H]- 255.99785 158.8
[M+NH4]+ 275.03895 173.1
[M+K]+ 295.96829 154.4
[M+H-H2O]+ 240.00239 151.4
[M+HCOO]- 302.00333 170.1
[M+CH3COO]- 316.01898 193.3
[M+Na-2H]- 277.97980 158.3
[M]+ 257.00458 171.0
[M]- 257.00568 171.0
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.