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]+ 167.081506 132.6
[M+Na]+ 189.063448 139.9
[M-H]- 165.066954 135.3
[M+NH4]+ 184.108053 151.2
[M+K]+ 205.037388 134.8
[M+H-H2O]+ 149.071490 131.3
[M+HCOO]- 211.072431 156.0
[M+CH3COO]- 225.088081 172.5
[M+Na-2H]- 187.048896 143.5
[M]+ 166.07368142 131.1
[M]- 166.07477858 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.