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

7
Patents

194.06914 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 133.0
[M+Na]+ 217.05836 136.8
[M-H]- 193.06186 139.9
[M+NH4]+ 212.10296 143.1
[M+K]+ 233.03230 136.2
[M+H-H2O]+ 177.06640 124.6
[M+HCOO]- 239.06734 156.9
[M+CH3COO]- 253.08299 182.3
[M+Na-2H]- 215.04381 142.3
[M]+ 194.06859 139.0
[M]- 194.06969 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