CID 14587552

115909-59-6

Structural Information

Molecular Formula
C8H13NO3
SMILES
COC(=O)CC1CCCC(=O)N1
InChI
InChI=1S/C8H13NO3/c1-12-8(11)5-6-3-2-4-7(10)9-6/h6H,2-5H2,1H3,(H,9,10)
InChIKey
AATRAVJBVRDXNI-UHFFFAOYSA-N
Compound name
methyl 2-(6-oxopiperidin-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

171.08954 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 136.6
[M+Na]+ 194.078758 142.2
[M-H]- 170.082264 136.8
[M+NH4]+ 189.123363 154.8
[M+K]+ 210.052698 141.0
[M+H-H2O]+ 154.086800 130.5
[M+HCOO]- 216.087741 154.4
[M+CH3COO]- 230.103391 175.1
[M+Na-2H]- 192.064206 140.0
[M]+ 171.08899142 133.1
[M]- 171.09008858 133.1
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