CID 23677

2-methyl-1-nitrosopiperidine

Structural Information

Molecular Formula
C6H12N2O
SMILES
CC1CCCCN1N=O
InChI
InChI=1S/C6H12N2O/c1-6-4-2-3-5-8(6)7-9/h6H,2-5H2,1H3
InChIKey
SSPVLHFEMWOTGD-UHFFFAOYSA-N
Compound name
2-methyl-1-nitrosopiperidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

12
Patents

128.09496 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.10224 126.2
[M+Na]+ 151.08418 137.0
[M+NH4]+ 146.12878 134.9
[M+K]+ 167.05812 131.1
[M-H]- 127.08768 128.4
[M+Na-2H]- 149.06963 132.0
[M]+ 128.09441 128.1
[M]- 128.09551 128.1
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