CID 58262

N-(2-bromoallyl)formamide

Structural Information

Molecular Formula
C4H6BrNO
SMILES
C=C(CNC=O)Br
InChI
InChI=1S/C4H6BrNO/c1-4(5)2-6-3-7/h3H,1-2H2,(H,6,7)
InChIKey
HIMDUOONNQPZHJ-UHFFFAOYSA-N
Compound name
N-(2-bromoprop-2-enyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.96329 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.970566 124.5
[M+Na]+ 185.952508 135.4
[M-H]- 161.956014 127.7
[M+NH4]+ 180.997113 148.2
[M+K]+ 201.926448 125.1
[M+H-H2O]+ 145.960550 124.9
[M+HCOO]- 207.961491 146.9
[M+CH3COO]- 221.977141 177.8
[M+Na-2H]- 183.937956 132.6
[M]+ 162.96274142 141.9
[M]- 162.96383858 141.9
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.