CID 4171754

4-(1-methyl-1-nitroethyl)pyridine

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CC(C)(C1=CC=NC=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H10N2O2/c1-8(2,10(11)12)7-3-5-9-6-4-7/h3-6H,1-2H3
InChIKey
JWGIWURNZVFPIW-UHFFFAOYSA-N
Compound name
4-(2-nitropropan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.07423 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 132.6
[M+Na]+ 189.06345 139.9
[M-H]- 165.06695 135.3
[M+NH4]+ 184.10805 151.2
[M+K]+ 205.03739 134.8
[M+H-H2O]+ 149.07149 131.3
[M+HCOO]- 211.07243 156.0
[M+CH3COO]- 225.08808 172.5
[M+Na-2H]- 187.04890 143.5
[M]+ 166.07368 131.1
[M]- 166.07478 131.1
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

No patent data available for this compound.