CID 14587552

Methyl2-(6-oxopiperidin-2-yl)acetate

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

0
Patents

171.08954 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 136.6
[M+Na]+ 194.07876 142.2
[M-H]- 170.08226 136.8
[M+NH4]+ 189.12336 154.8
[M+K]+ 210.05270 141.0
[M+H-H2O]+ 154.08680 130.5
[M+HCOO]- 216.08774 154.4
[M+CH3COO]- 230.10339 175.1
[M+Na-2H]- 192.06421 140.0
[M]+ 171.08899 133.1
[M]- 171.09009 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