CID 92372

N-nitroso-3,5-dimethylpiperidine

Structural Information

Molecular Formula
C7H14N2O
SMILES
CC1CC(CN(C1)N=O)C
InChI
InChI=1S/C7H14N2O/c1-6-3-7(2)5-9(4-6)8-10/h6-7H,3-5H2,1-2H3
InChIKey
QGLSEFISGRBIML-UHFFFAOYSA-N
Compound name
3,5-dimethyl-1-nitrosopiperidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

142.11061 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.11789 129.4
[M+Na]+ 165.09983 136.3
[M-H]- 141.10333 132.8
[M+NH4]+ 160.14443 150.3
[M+K]+ 181.07377 136.3
[M+H-H2O]+ 125.10787 123.0
[M+HCOO]- 187.10881 151.9
[M+CH3COO]- 201.12446 179.9
[M+Na-2H]- 163.08528 135.1
[M]+ 142.11006 127.4
[M]- 142.11116 127.4
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

No patent data available for this compound.