CID 165755875

3-(1-phenylcyclopropyl)azetidine hydrochloride

Structural Information

Molecular Formula
C12H15N
SMILES
C1CC1(C2CNC2)C3=CC=CC=C3
InChI
InChI=1S/C12H15N/c1-2-4-10(5-3-1)12(6-7-12)11-8-13-9-11/h1-5,11,13H,6-9H2
InChIKey
QUSDAKDOTOKGGU-UHFFFAOYSA-N
Compound name
3-(1-phenylcyclopropyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.12045 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12773 136.0
[M+Na]+ 196.10967 143.3
[M-H]- 172.11317 143.5
[M+NH4]+ 191.15427 145.2
[M+K]+ 212.08361 143.1
[M+H-H2O]+ 156.11771 124.8
[M+HCOO]- 218.11865 155.9
[M+CH3COO]- 232.13430 148.0
[M+Na-2H]- 194.09512 143.4
[M]+ 173.11990 142.6
[M]- 173.12100 142.6
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

No patent data available for this compound.