CID 20614

4515-18-8

Structural Information

Molecular Formula
C6H10N2O3
SMILES
C1CCN(C(C1)C(=O)O)N=O
InChI
InChI=1S/C6H10N2O3/c9-6(10)5-3-1-2-4-8(5)7-11/h5H,1-4H2,(H,9,10)
InChIKey
DSGKTUVITPQPRT-UHFFFAOYSA-N
Compound name
1-nitrosopiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

70
Patents

158.06914 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.07642 130.3
[M+Na]+ 181.05836 136.1
[M-H]- 157.06186 132.2
[M+NH4]+ 176.10296 149.2
[M+K]+ 197.03230 136.3
[M+H-H2O]+ 141.06640 123.8
[M+HCOO]- 203.06734 151.3
[M+CH3COO]- 217.08299 177.2
[M+Na-2H]- 179.04381 135.6
[M]+ 158.06859 127.3
[M]- 158.06969 127.3
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