CID 70655008

4-(bromomethyl)oxane-4-carbonitrile

Structural Information

Molecular Formula
C7H10BrNO
SMILES
C1COCCC1(CBr)C#N
InChI
InChI=1S/C7H10BrNO/c8-5-7(6-9)1-3-10-4-2-7/h1-5H2
InChIKey
BODZWWWBFVYZBR-UHFFFAOYSA-N
Compound name
4-(bromomethyl)oxane-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

202.99458 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.00186 129.4
[M+Na]+ 225.98380 141.5
[M-H]- 201.98730 134.3
[M+NH4]+ 221.02840 150.3
[M+K]+ 241.95774 131.5
[M+H-H2O]+ 185.99184 124.0
[M+HCOO]- 247.99278 146.8
[M+CH3COO]- 262.00843 192.0
[M+Na-2H]- 223.96925 138.7
[M]+ 202.99403 139.5
[M]- 202.99513 139.5
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