CID 2724029

Methyl 4-oxopiperidine-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C7H11NO3
SMILES
COC(=O)C1CNCCC1=O
InChI
InChI=1S/C7H11NO3/c1-11-7(10)5-4-8-3-2-6(5)9/h5,8H,2-4H2,1H3
InChIKey
XBNGBGYWMXBQRX-UHFFFAOYSA-N
Compound name
methyl 4-oxopiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

520
Patents

157.0739 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08118 132.1
[M+Na]+ 180.06312 138.0
[M-H]- 156.06662 132.5
[M+NH4]+ 175.10772 150.8
[M+K]+ 196.03706 137.1
[M+H-H2O]+ 140.07116 126.2
[M+HCOO]- 202.07210 150.2
[M+CH3COO]- 216.08775 172.0
[M+Na-2H]- 178.04857 136.0
[M]+ 157.07335 128.2
[M]- 157.07445 128.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe