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

4
Patents

162.99966 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.00694 130.2
[M+Na]+ 185.98888 140.3
[M-H]- 161.99238 132.9
[M+NH4]+ 181.03348 153.7
[M+K]+ 201.96282 130.0
[M+H-H2O]+ 145.99692 130.5
[M+HCOO]- 207.99786 150.3
[M+CH3COO]- 222.01351 179.2
[M+Na-2H]- 183.97433 135.4
[M]+ 162.99911 145.5
[M]- 163.00021 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