CID 130740148

4-(2-bromoethoxy)oxane-4-carbonitrile

Structural Information

Molecular Formula
C8H12BrNO2
SMILES
C1COCCC1(C#N)OCCBr
InChI
InChI=1S/C8H12BrNO2/c9-3-6-12-8(7-10)1-4-11-5-2-8/h1-6H2
InChIKey
LAAWURJYGQAUTA-UHFFFAOYSA-N
Compound name
4-(2-bromoethoxy)oxane-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

233.00514 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.01242 135.2
[M+Na]+ 255.99436 146.9
[M-H]- 231.99786 139.9
[M+NH4]+ 251.03896 155.0
[M+K]+ 271.96830 137.0
[M+H-H2O]+ 216.00240 129.4
[M+HCOO]- 278.00334 152.5
[M+CH3COO]- 292.01899 196.2
[M+Na-2H]- 253.97981 144.1
[M]+ 233.00459 146.8
[M]- 233.00569 146.8
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