CID 19372256

3-bromo-2-methylpropanenitrile

Structural Information

Molecular Formula
C4H6BrN
SMILES
CC(CBr)C#N
InChI
InChI=1S/C4H6BrN/c1-4(2-5)3-6/h4H,2H2,1H3
InChIKey
ARVAJFOYUNZGNL-UHFFFAOYSA-N
Compound name
3-bromo-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

146.96835 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.97563 117.5
[M+Na]+ 169.95757 130.6
[M-H]- 145.96107 120.2
[M+NH4]+ 165.00217 139.9
[M+K]+ 185.93151 121.4
[M+H-H2O]+ 129.96561 112.0
[M+HCOO]- 191.96655 137.6
[M+CH3COO]- 205.98220 187.2
[M+Na-2H]- 167.94302 125.6
[M]+ 146.96780 129.4
[M]- 146.96890 129.4
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