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]+ 173.09208 134.4
[M+Na]+ 195.07402 140.2
[M-H]- 171.07752 137.5
[M+NH4]+ 190.11862 153.5
[M+K]+ 211.04796 141.1
[M+H-H2O]+ 155.08206 127.5
[M+HCOO]- 217.08300 156.6
[M+CH3COO]- 231.09865 182.2
[M+Na-2H]- 193.05947 139.7
[M]+ 172.08425 133.5
[M]- 172.08535 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.