CID 76507681

4-(bromomethyl)piperidin-2-one

Structural Information

Molecular Formula
C6H10BrNO
SMILES
C1CNC(=O)CC1CBr
InChI
InChI=1S/C6H10BrNO/c7-4-5-1-2-8-6(9)3-5/h5H,1-4H2,(H,8,9)
InChIKey
YNKYYBGZTFVTEO-UHFFFAOYSA-N
Compound name
4-(bromomethyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

190.99458 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.00186 133.4
[M+Na]+ 213.98380 143.1
[M-H]- 189.98730 136.6
[M+NH4]+ 209.02840 154.5
[M+K]+ 229.95774 132.3
[M+H-H2O]+ 173.99184 133.8
[M+HCOO]- 235.99278 150.0
[M+CH3COO]- 250.00843 176.6
[M+Na-2H]- 211.96925 140.1
[M]+ 190.99403 146.6
[M]- 190.99513 146.6
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