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

4
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 123.6
[M+Na]+ 181.95757 142.0
[M-H]- 157.96107 131.3
[M+NH4]+ 177.00217 143.0
[M+K]+ 197.93151 129.1
[M+H-H2O]+ 141.96561 119.5
[M+HCOO]- 203.96655 145.3
[M+CH3COO]- 217.98220 191.3
[M+Na-2H]- 179.94302 132.8
[M]+ 158.96780 137.8
[M]- 158.96890 137.8
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