CID 263631

2-bromo-2-cyanoacetamide

Structural Information

Molecular Formula
C3H3BrN2O
SMILES
C(#N)C(C(=O)N)Br
InChI
InChI=1S/C3H3BrN2O/c4-2(1-5)3(6)7/h2H,(H2,6,7)
InChIKey
ABBGMXMPOCXVNL-UHFFFAOYSA-N
Compound name
2-bromo-2-cyanoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

275
Patents

161.94289 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.95017 122.2
[M+Na]+ 184.93211 134.4
[M-H]- 160.93561 124.1
[M+NH4]+ 179.97671 143.0
[M+K]+ 200.90605 125.2
[M+H-H2O]+ 144.94015 115.5
[M+HCOO]- 206.94109 142.0
[M+CH3COO]- 220.95674 189.5
[M+Na-2H]- 182.91756 128.2
[M]+ 161.94234 131.8
[M]- 161.94344 131.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe