CID 26131

3-methyl-1-nitrosopiperidine

Structural Information

Molecular Formula
C6H12N2O
SMILES
CC1CCCN(C1)N=O
InChI
InChI=1S/C6H12N2O/c1-6-3-2-4-8(5-6)7-9/h6H,2-5H2,1H3
InChIKey
ADDORFBRRWECKX-UHFFFAOYSA-N
Compound name
3-methyl-1-nitrosopiperidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

10
Patents

128.09496 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.102236 125.2
[M+Na]+ 151.084178 131.5
[M-H]- 127.087684 128.4
[M+NH4]+ 146.128783 146.3
[M+K]+ 167.058118 131.8
[M+H-H2O]+ 111.092220 118.6
[M+HCOO]- 173.093161 148.0
[M+CH3COO]- 187.108811 175.7
[M+Na-2H]- 149.069626 132.1
[M]+ 128.09441142 122.4
[M]- 128.09550858 122.4
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