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-nitro-2-pyridinyl)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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.060776 130.8
[M+Na]+ 191.042718 139.4
[M-H]- 167.046224 132.6
[M+NH4]+ 186.087323 148.9
[M+K]+ 207.016658 133.6
[M+H-H2O]+ 151.050760 129.5
[M+HCOO]- 213.051701 154.8
[M+CH3COO]- 227.067351 170.7
[M+Na-2H]- 189.028166 139.4
[M]+ 168.05295142 129.7
[M]- 168.05404858 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