CID 24902337

3-(azetidin-3-yloxy)benzonitrile hydrochloride

Structural Information

Molecular Formula
C10H10N2O
SMILES
C1C(CN1)OC2=CC=CC(=C2)C#N
InChI
InChI=1S/C10H10N2O/c11-5-8-2-1-3-9(4-8)13-10-6-12-7-10/h1-4,10,12H,6-7H2
InChIKey
XAPUJMUHHTZKLO-UHFFFAOYSA-N
Compound name
3-(azetidin-3-yloxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

174.07932 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 130.5
[M+Na]+ 197.06854 138.2
[M-H]- 173.07204 133.4
[M+NH4]+ 192.11314 140.9
[M+K]+ 213.04248 138.7
[M+H-H2O]+ 157.07658 112.7
[M+HCOO]- 219.07752 147.2
[M+CH3COO]- 233.09317 192.5
[M+Na-2H]- 195.05399 136.7
[M]+ 174.07877 131.4
[M]- 174.07987 131.4
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

patents stripe