CID 246725

N-allyl-2-bromoisovaleramide

Structural Information

Molecular Formula
C8H14BrNO
SMILES
CC(C)C(C(=O)NCC=C)Br
InChI
InChI=1S/C8H14BrNO/c1-4-5-10-8(11)7(9)6(2)3/h4,6-7H,1,5H2,2-3H3,(H,10,11)
InChIKey
WCNCYFCHRAPWKD-UHFFFAOYSA-N
Compound name
2-bromo-3-methyl-N-prop-2-enylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.02588 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.03316 144.6
[M+Na]+ 242.01510 153.5
[M-H]- 218.01860 147.3
[M+NH4]+ 237.05970 166.1
[M+K]+ 257.98904 143.0
[M+H-H2O]+ 202.02314 144.2
[M+HCOO]- 264.02408 163.8
[M+CH3COO]- 278.03973 190.1
[M+Na-2H]- 240.00055 148.0
[M]+ 219.02533 162.0
[M]- 219.02643 162.0
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.