CID 13372

Allylamine, 2-bromo-n-ethyl-

Structural Information

Molecular Formula
C5H10BrN
SMILES
CCNCC(=C)Br
InChI
InChI=1S/C5H10BrN/c1-3-7-4-5(2)6/h7H,2-4H2,1H3
InChIKey
IQWLHTYWDALEGG-UHFFFAOYSA-N
Compound name
2-bromo-N-ethylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
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 128.4
[M+Na]+ 185.988878 138.6
[M-H]- 161.992384 131.4
[M+NH4]+ 181.033483 152.1
[M+K]+ 201.962818 128.3
[M+H-H2O]+ 145.996920 128.7
[M+HCOO]- 207.997861 150.0
[M+CH3COO]- 222.013511 179.7
[M+Na-2H]- 183.974326 135.8
[M]+ 162.99911142 145.4
[M]- 163.00020858 145.4
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