CID 9926375

(3-methyl-4-nitro-2-pyridinyl)methanol

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

6
Patents

168.0535 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06078 130.8
[M+Na]+ 191.04272 139.4
[M-H]- 167.04622 132.6
[M+NH4]+ 186.08732 148.9
[M+K]+ 207.01666 133.6
[M+H-H2O]+ 151.05076 129.5
[M+HCOO]- 213.05170 154.8
[M+CH3COO]- 227.06735 170.7
[M+Na-2H]- 189.02817 139.4
[M]+ 168.05295 129.7
[M]- 168.05405 129.7
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