CID 69314532

(6-nitropyridin-3-yl)methanol

Structural Information

Molecular Formula
C6H6N2O3
SMILES
C1=CC(=NC=C1CO)[N+](=O)[O-]
InChI
InChI=1S/C6H6N2O3/c9-4-5-1-2-6(7-3-5)8(10)11/h1-3,9H,4H2
InChIKey
ZKJZLPFLGSLEQD-UHFFFAOYSA-N
Compound name
(6-nitro-3-pyridinyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

154.03784 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.045116 126.4
[M+Na]+ 177.027058 134.4
[M-H]- 153.030564 128.0
[M+NH4]+ 172.071663 144.7
[M+K]+ 193.000998 128.9
[M+H-H2O]+ 137.035100 125.0
[M+HCOO]- 199.036041 150.7
[M+CH3COO]- 213.051691 166.5
[M+Na-2H]- 175.012506 136.2
[M]+ 154.03729142 124.5
[M]- 154.03838858 124.5
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