CID 23628

Azetidine, 1-isopropyl-3-phenyl-

Structural Information

Molecular Formula
C12H17N
SMILES
CC(C)N1CC(C1)C2=CC=CC=C2
InChI
InChI=1S/C12H17N/c1-10(2)13-8-12(9-13)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChIKey
ODSLIHMMZLMSNV-UHFFFAOYSA-N
Compound name
3-phenyl-1-propan-2-ylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

175.1361 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 137.9
[M+Na]+ 198.12532 143.4
[M-H]- 174.12882 142.8
[M+NH4]+ 193.16992 150.4
[M+K]+ 214.09926 144.2
[M+H-H2O]+ 158.13336 125.8
[M+HCOO]- 220.13430 157.5
[M+CH3COO]- 234.14995 186.5
[M+Na-2H]- 196.11077 142.5
[M]+ 175.13555 144.9
[M]- 175.13665 144.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe