CID 16780740

3-[(4-chlorophenyl)methyl]azetidine hydrochloride

Structural Information

Molecular Formula
C10H12ClN
SMILES
C1C(CN1)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H12ClN/c11-10-3-1-8(2-4-10)5-9-6-12-7-9/h1-4,9,12H,5-7H2
InChIKey
UTOUVXKYESEICL-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)methyl]azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

181.06583 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.073106 131.6
[M+Na]+ 204.055048 138.9
[M-H]- 180.058554 135.0
[M+NH4]+ 199.099653 144.2
[M+K]+ 220.028988 136.7
[M+H-H2O]+ 164.063090 120.8
[M+HCOO]- 226.064031 147.1
[M+CH3COO]- 240.079681 181.0
[M+Na-2H]- 202.040496 137.9
[M]+ 181.06528142 138.7
[M]- 181.06637858 138.7
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