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

17
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 128.4
[M+Na]+ 185.98888 138.6
[M-H]- 161.99238 131.4
[M+NH4]+ 181.03348 152.1
[M+K]+ 201.96282 128.3
[M+H-H2O]+ 145.99692 128.7
[M+HCOO]- 207.99786 150.0
[M+CH3COO]- 222.01351 179.7
[M+Na-2H]- 183.97433 135.8
[M]+ 162.99911 145.4
[M]- 163.00021 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