CID 329360

2-methyl-3-nitropyridine

Structural Information

Molecular Formula
C6H6N2O2
SMILES
CC1=C(C=CC=N1)[N+](=O)[O-]
InChI
InChI=1S/C6H6N2O2/c1-5-6(8(9)10)3-2-4-7-5/h2-4H,1H3
InChIKey
CCFGTKQIRWHYTB-UHFFFAOYSA-N
Compound name
2-methyl-3-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

540
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

literature stripe

Patent stripe

patents stripe