CID 118368485

3-(nitromethyl)oxetan-3-ol

Structural Information

Molecular Formula
C4H7NO4
SMILES
C1C(CO1)(C[N+](=O)[O-])O
InChI
InChI=1S/C4H7NO4/c6-4(1-5(7)8)2-9-3-4/h6H,1-3H2
InChIKey
JEPCBTMGAAIBML-UHFFFAOYSA-N
Compound name
3-(nitromethyl)oxetan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

133.0375 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.044776 118.4
[M+Na]+ 156.026718 123.5
[M-H]- 132.030224 121.5
[M+NH4]+ 151.071323 132.7
[M+K]+ 172.000658 124.3
[M+H-H2O]+ 116.034760 113.8
[M+HCOO]- 178.035701 140.2
[M+CH3COO]- 192.051351 165.1
[M+Na-2H]- 154.012166 128.9
[M]+ 133.03695142 125.4
[M]- 133.03804858 125.4
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