CID 53864161

4-nitrosopiperidine

Structural Information

Molecular Formula
C5H10N2O
SMILES
C1CNCCC1N=O
InChI
InChI=1S/C5H10N2O/c8-7-5-1-3-6-4-2-5/h5-6H,1-4H2
InChIKey
GYOBZYGGVLLHBK-UHFFFAOYSA-N
Compound name
4-nitrosopiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

164
Patents

114.079315 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.086591 121.6
[M+Na]+ 137.068533 126.9
[M-H]- 113.072039 123.1
[M+NH4]+ 132.113138 142.2
[M+K]+ 153.042473 126.5
[M+H-H2O]+ 97.076575 115.2
[M+HCOO]- 159.077516 143.2
[M+CH3COO]- 173.093166 168.8
[M+Na-2H]- 135.053981 129.2
[M]+ 114.07876642 116.2
[M]- 114.07986358 116.2
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

patents stripe