CID 53256991

3-(3-chlorophenyl)oxetan-3-amine hydrochloride

Structural Information

Molecular Formula
C9H10ClNO
SMILES
C1C(CO1)(C2=CC(=CC=C2)Cl)N
InChI
InChI=1S/C9H10ClNO/c10-8-3-1-2-7(4-8)9(11)5-12-6-9/h1-4H,5-6,11H2
InChIKey
RIWUKKHBJOMCEL-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)oxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

183.04509 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.052366 131.2
[M+Na]+ 206.034308 139.1
[M-H]- 182.037814 138.2
[M+NH4]+ 201.078913 145.8
[M+K]+ 222.008248 139.4
[M+H-H2O]+ 166.042350 121.8
[M+HCOO]- 228.043291 149.5
[M+CH3COO]- 242.058941 183.4
[M+Na-2H]- 204.019756 139.4
[M]+ 183.04454142 139.9
[M]- 183.04563858 139.9
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