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

6
Patents

158.96835 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.975626 123.6
[M+Na]+ 181.957568 142.0
[M-H]- 157.961074 131.3
[M+NH4]+ 177.002173 143.0
[M+K]+ 197.931508 129.1
[M+H-H2O]+ 141.965610 119.5
[M+HCOO]- 203.966551 145.3
[M+CH3COO]- 217.982201 191.3
[M+Na-2H]- 179.943016 132.8
[M]+ 158.96780142 137.8
[M]- 158.96889858 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