CID 13089869

2-bromo-2-methylpropanenitrile

Structural Information

Molecular Formula
C4H6BrN
SMILES
CC(C)(C#N)Br
InChI
InChI=1S/C4H6BrN/c1-4(2,5)3-6/h1-2H3
InChIKey
XDSDCTDECRVDTB-UHFFFAOYSA-N
Compound name
2-bromo-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

304
Patents

146.96835 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.97563 120.0
[M+Na]+ 169.95757 133.6
[M-H]- 145.96107 122.9
[M+NH4]+ 165.00217 142.6
[M+K]+ 185.93151 124.4
[M+H-H2O]+ 129.96561 114.9
[M+HCOO]- 191.96655 139.5
[M+CH3COO]- 205.98220 186.7
[M+Na-2H]- 167.94302 129.3
[M]+ 146.96780 131.9
[M]- 146.96890 131.9
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