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

94
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 118.4
[M+Na]+ 156.02672 123.5
[M-H]- 132.03022 121.5
[M+NH4]+ 151.07132 132.7
[M+K]+ 172.00066 124.3
[M+H-H2O]+ 116.03476 113.8
[M+HCOO]- 178.03570 140.2
[M+CH3COO]- 192.05135 165.1
[M+Na-2H]- 154.01217 128.9
[M]+ 133.03695 125.4
[M]- 133.03805 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