CID 64236205

Methyl 3-(3-bromo-2-oxopiperidin-1-yl)propanoate

Structural Information

Molecular Formula
C9H14BrNO3
SMILES
COC(=O)CCN1CCCC(C1=O)Br
InChI
InChI=1S/C9H14BrNO3/c1-14-8(12)4-6-11-5-2-3-7(10)9(11)13/h7H,2-6H2,1H3
InChIKey
OYGXRMHTBAOIRC-UHFFFAOYSA-N
Compound name
methyl 3-(3-bromo-2-oxopiperidin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.01572 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.02300 149.0
[M+Na]+ 286.00494 158.5
[M-H]- 262.00844 153.3
[M+NH4]+ 281.04954 168.1
[M+K]+ 301.97888 148.7
[M+H-H2O]+ 246.01298 148.4
[M+HCOO]- 308.01392 165.7
[M+CH3COO]- 322.02957 191.8
[M+Na-2H]- 283.99039 152.9
[M]+ 263.01517 166.7
[M]- 263.01627 166.7
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

No patent data available for this compound.