CID 255070

5-methyl-2-nitropyridine

Structural Information

Molecular Formula
C6H6N2O2
SMILES
CC1=CN=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C6H6N2O2/c1-5-2-3-6(7-4-5)8(9)10/h2-4H,1H3
InChIKey
FISOVIVSROCTBV-UHFFFAOYSA-N
Compound name
5-methyl-2-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

138.04292 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05020 123.0
[M+Na]+ 161.03214 137.4
[M+NH4]+ 156.07674 131.7
[M+K]+ 177.00608 133.9
[M-H]- 137.03564 126.2
[M+Na-2H]- 159.01759 130.8
[M]+ 138.04237 125.8
[M]- 138.04347 125.8
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

patents stripe