CID 422554

2-bromo-3-methylbut-2-en-1-amine

Structural Information

Molecular Formula
C5H10BrN
SMILES
CC(=C(CN)Br)C
InChI
InChI=1S/C5H10BrN/c1-4(2)5(6)3-7/h3,7H2,1-2H3
InChIKey
OQAHIYFCTDOCEG-UHFFFAOYSA-N
Compound name
2-bromo-3-methylbut-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

162.99966 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.006936 130.2
[M+Na]+ 185.988878 140.3
[M-H]- 161.992384 132.9
[M+NH4]+ 181.033483 153.7
[M+K]+ 201.962818 130.0
[M+H-H2O]+ 145.996920 130.5
[M+HCOO]- 207.997861 150.3
[M+CH3COO]- 222.013511 179.2
[M+Na-2H]- 183.974326 135.4
[M]+ 162.99911142 145.5
[M]- 163.00020858 145.5
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

patents stripe