CID 23167994

3-(2-nitrophenyl)azetidine hydrochloride

Structural Information

Molecular Formula
C9H10N2O2
SMILES
C1C(CN1)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O2/c12-11(13)9-4-2-1-3-8(9)7-5-10-6-7/h1-4,7,10H,5-6H2
InChIKey
BIVJDIALLPNAMH-UHFFFAOYSA-N
Compound name
3-(2-nitrophenyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.07423 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 131.9
[M+Na]+ 201.06345 136.7
[M-H]- 177.06695 135.7
[M+NH4]+ 196.10805 142.5
[M+K]+ 217.03739 133.5
[M+H-H2O]+ 161.07149 123.8
[M+HCOO]- 223.07243 153.0
[M+CH3COO]- 237.08808 175.5
[M+Na-2H]- 199.04890 139.6
[M]+ 178.07368 135.4
[M]- 178.07478 135.4
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

No patent data available for this compound.