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

91
Patents

133.0375 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.04478 123.6
[M+Na]+ 156.02672 129.5
[M+NH4]+ 151.07132 128.4
[M+K]+ 172.00066 128.9
[M-H]- 132.03022 123.1
[M+Na-2H]- 154.01217 126.2
[M]+ 133.03695 122.9
[M]- 133.03805 122.9
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