CID 137949904

2168231-86-3

Structural Information

Molecular Formula
C8H12ClNO3
SMILES
COC(=O)C1CCCN(C1)C(=O)Cl
InChI
InChI=1S/C8H12ClNO3/c1-13-7(11)6-3-2-4-10(5-6)8(9)12/h6H,2-5H2,1H3
InChIKey
WFKGHZVYWBDYLP-UHFFFAOYSA-N
Compound name
methyl 1-carbonochloridoylpiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.05057 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.057846 140.8
[M+Na]+ 228.039788 147.4
[M-H]- 204.043294 142.5
[M+NH4]+ 223.084393 159.2
[M+K]+ 244.013728 145.7
[M+H-H2O]+ 188.047830 135.4
[M+HCOO]- 250.048771 154.7
[M+CH3COO]- 264.064421 181.7
[M+Na-2H]- 226.025236 143.2
[M]+ 205.05002142 140.4
[M]- 205.05111858 140.4
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.