CID 22609829

Methyl 2-(4-oxopiperidin-1-yl)acetate

Structural Information

Molecular Formula
C8H13NO3
SMILES
COC(=O)CN1CCC(=O)CC1
InChI
InChI=1S/C8H13NO3/c1-12-8(11)6-9-4-2-7(10)3-5-9/h2-6H2,1H3
InChIKey
WWLVHJAXNZPGGB-UHFFFAOYSA-N
Compound name
methyl 2-(4-oxopiperidin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

171.08954 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 135.7
[M+Na]+ 194.07876 141.7
[M-H]- 170.08226 137.3
[M+NH4]+ 189.12336 154.6
[M+K]+ 210.05270 141.5
[M+H-H2O]+ 154.08680 129.4
[M+HCOO]- 216.08774 155.0
[M+CH3COO]- 230.10339 177.7
[M+Na-2H]- 192.06421 139.6
[M]+ 171.08899 134.1
[M]- 171.09009 134.1
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