CID 21350881

198758-97-3

Structural Information

Molecular Formula
C4H6BrNO
SMILES
C1CC1(C(=O)N)Br
InChI
InChI=1S/C4H6BrNO/c5-4(1-2-4)3(6)7/h1-2H2,(H2,6,7)
InChIKey
RZWDXSFZQLTCTN-UHFFFAOYSA-N
Compound name
1-bromocyclopropane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

162.96329 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.97057 125.1
[M+Na]+ 185.95251 138.2
[M-H]- 161.95601 132.3
[M+NH4]+ 180.99711 145.8
[M+K]+ 201.92645 128.0
[M+H-H2O]+ 145.96055 126.0
[M+HCOO]- 207.96149 146.9
[M+CH3COO]- 221.97714 179.6
[M+Na-2H]- 183.93796 133.7
[M]+ 162.96274 143.3
[M]- 162.96384 143.3
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

patents stripe