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]+ 220.033156 144.6
[M+Na]+ 242.015098 153.5
[M-H]- 218.018604 147.3
[M+NH4]+ 237.059703 166.1
[M+K]+ 257.989038 143.0
[M+H-H2O]+ 202.023140 144.2
[M+HCOO]- 264.024081 163.8
[M+CH3COO]- 278.039731 190.1
[M+Na-2H]- 240.000546 148.0
[M]+ 219.02533142 162.0
[M]- 219.02642858 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.