CID 87602

4-methyl-2-nitropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

138.04292 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05020 123.1
[M+Na]+ 161.03214 131.7
[M-H]- 137.03564 126.1
[M+NH4]+ 156.07674 142.9
[M+K]+ 177.00608 126.7
[M+H-H2O]+ 121.04018 121.7
[M+HCOO]- 183.04112 148.7
[M+CH3COO]- 197.05677 167.3
[M+Na-2H]- 159.01759 133.3
[M]+ 138.04237 121.8
[M]- 138.04347 121.8
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