CID 21625415

3-(4-nitrophenoxy)azetidine hydrochloride

Structural Information

Molecular Formula
C9H10N2O3
SMILES
C1C(CN1)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O3/c12-11(13)7-1-3-8(4-2-7)14-9-5-10-6-9/h1-4,9-10H,5-6H2
InChIKey
DPNOWKDVXBTCMX-UHFFFAOYSA-N
Compound name
3-(4-nitrophenoxy)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

194.06914 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 134.5
[M+Na]+ 217.05836 138.9
[M-H]- 193.06186 138.2
[M+NH4]+ 212.10296 144.3
[M+K]+ 233.03230 136.3
[M+H-H2O]+ 177.06640 126.1
[M+HCOO]- 239.06734 155.8
[M+CH3COO]- 253.08299 177.6
[M+Na-2H]- 215.04381 142.3
[M]+ 194.06859 139.3
[M]- 194.06969 139.3
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