CID 141734752

Methyl 1-nitrosopiperidine-3-carboxylate

Structural Information

Molecular Formula
C7H12N2O3
SMILES
COC(=O)C1CCCN(C1)N=O
InChI
InChI=1S/C7H12N2O3/c1-12-7(10)6-3-2-4-9(5-6)8-11/h6H,2-5H2,1H3
InChIKey
SYKKXCFGRGOXKD-UHFFFAOYSA-N
Compound name
methyl 1-nitrosopiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.0848 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.092076 134.4
[M+Na]+ 195.074018 140.2
[M-H]- 171.077524 137.5
[M+NH4]+ 190.118623 153.5
[M+K]+ 211.047958 141.1
[M+H-H2O]+ 155.082060 127.5
[M+HCOO]- 217.083001 156.6
[M+CH3COO]- 231.098651 182.2
[M+Na-2H]- 193.059466 139.7
[M]+ 172.08425142 133.5
[M]- 172.08534858 133.5
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.