CID 71432725

N-(4-nitrophenyl)oxetan-3-amine

Structural Information

Molecular Formula
C9H10N2O3
SMILES
C1C(CO1)NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O3/c12-11(13)9-3-1-7(2-4-9)10-8-5-14-6-8/h1-4,8,10H,5-6H2
InChIKey
NTCZFBXKDDWCIW-UHFFFAOYSA-N
Compound name
N-(4-nitrophenyl)oxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

194.06914 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.076416 133.0
[M+Na]+ 217.058358 136.8
[M-H]- 193.061864 139.9
[M+NH4]+ 212.102963 143.1
[M+K]+ 233.032298 136.2
[M+H-H2O]+ 177.066400 124.6
[M+HCOO]- 239.067341 156.9
[M+CH3COO]- 253.082991 182.3
[M+Na-2H]- 215.043806 142.3
[M]+ 194.06859142 139.0
[M]- 194.06968858 139.0
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