CID 9926375

168167-49-5

Structural Information

Molecular Formula

C₇H₈N₂O₃

SMILES

CC1=C(C=CN=C1CO)[N+](=O)[O-]

InChI

InChI=1S/C7H8N2O3/c1-5-6(4-10)8-3-2-7(5)9(11)12/h2-3,10H,4H2,1H3

InChIKey

YFYLOUJBRSOJSQ-UHFFFAOYSA-N

Compound name

(3-methyl-4-nitropyridin-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 168.0535 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	169.06078	130.9
[M+Na]+	191.04272	144.4
[M+NH4]+	186.08732	138.5
[M+K]+	207.01666	141.7
[M-H]-	167.04622	133.0
[M+Na-2H]-	189.02817	137.0
[M]+	168.05295	133.2
[M]-	168.05405	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe