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

44
Patents

181.06583 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.07311 131.6
[M+Na]+ 204.05505 138.9
[M-H]- 180.05855 135.0
[M+NH4]+ 199.09965 144.2
[M+K]+ 220.02899 136.7
[M+H-H2O]+ 164.06309 120.8
[M+HCOO]- 226.06403 147.1
[M+CH3COO]- 240.07968 181.0
[M+Na-2H]- 202.04050 137.9
[M]+ 181.06528 138.7
[M]- 181.06638 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