CID 59581

102585-34-2

Structural Information

Molecular Formula
C6H10BrNO
SMILES
CC(=O)N(C)CC(=C)Br
InChI
InChI=1S/C6H10BrNO/c1-5(7)4-8(3)6(2)9/h1,4H2,2-3H3
InChIKey
LMDMAEVWDIMLDK-UHFFFAOYSA-N
Compound name
N-(2-bromoprop-2-enyl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.99458 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.001856 134.0
[M+Na]+ 213.983798 144.2
[M-H]- 189.987304 138.5
[M+NH4]+ 209.028403 157.3
[M+K]+ 229.957738 135.2
[M+H-H2O]+ 173.991840 134.0
[M+HCOO]- 235.992781 155.4
[M+CH3COO]- 250.008431 187.0
[M+Na-2H]- 211.969246 139.2
[M]+ 190.99403142 152.6
[M]- 190.99512858 152.6
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.