CID 83090798

2-bromo-2-cyclopropylacetonitrile

Structural Information

Molecular Formula
C5H6BrN
SMILES
C1CC1C(C#N)Br
InChI
InChI=1S/C5H6BrN/c6-5(3-7)4-1-2-4/h4-5H,1-2H2
InChIKey
VQBHWDFLINNKOF-UHFFFAOYSA-N
Compound name
2-bromo-2-cyclopropylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

158.96835 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.97563 119.9
[M+Na]+ 181.95757 124.0
[M+NH4]+ 177.00217 123.4
[M+K]+ 197.93151 122.9
[M-H]- 157.96107 119.6
[M+Na-2H]- 179.94302 123.7
[M]+ 158.96780 119.5
[M]- 158.96890 119.5
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