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]+ 192.00186 134.0
[M+Na]+ 213.98380 144.2
[M-H]- 189.98730 138.5
[M+NH4]+ 209.02840 157.3
[M+K]+ 229.95774 135.2
[M+H-H2O]+ 173.99184 134.0
[M+HCOO]- 235.99278 155.4
[M+CH3COO]- 250.00843 187.0
[M+Na-2H]- 211.96925 139.2
[M]+ 190.99403 152.6
[M]- 190.99513 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.