CID 379674

Nsc664554

Structural Information

Molecular Formula
C10H14Br2N2O2
SMILES
C=C(CNC(=O)CCC(=O)NCC(=C)Br)Br
InChI
InChI=1S/C10H14Br2N2O2/c1-7(11)5-13-9(15)3-4-10(16)14-6-8(2)12/h1-6H2,(H,13,15)(H,14,16)
InChIKey
FDJHVJCHHQELFM-UHFFFAOYSA-N
Compound name
N,N'-bis(2-bromoprop-2-enyl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.9422 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.94948 159.7
[M+Na]+ 374.93142 166.5
[M-H]- 350.93492 162.6
[M+NH4]+ 369.97602 175.6
[M+K]+ 390.90536 149.2
[M+H-H2O]+ 334.93946 164.2
[M+HCOO]- 396.94040 173.3
[M+CH3COO]- 410.95605 215.1
[M+Na-2H]- 372.91687 161.2
[M]+ 351.94165 191.1
[M]- 351.94275 191.1
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.