CID 205251

N-(2-nitroisobutyl)piperidine

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CC(C)(CN1CCCCC1)[N+](=O)[O-]
InChI
InChI=1S/C9H18N2O2/c1-9(2,11(12)13)8-10-6-4-3-5-7-10/h3-8H2,1-2H3
InChIKey
KWULWMUTIBFSHV-UHFFFAOYSA-N
Compound name
1-(2-methyl-2-nitropropyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

186.13683 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.144106 142.6
[M+Na]+ 209.126048 146.4
[M-H]- 185.129554 144.0
[M+NH4]+ 204.170653 160.1
[M+K]+ 225.099988 141.8
[M+H-H2O]+ 169.134090 141.1
[M+HCOO]- 231.135031 161.3
[M+CH3COO]- 245.150681 176.7
[M+Na-2H]- 207.111496 150.0
[M]+ 186.13628142 137.2
[M]- 186.13737858 137.2
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