CID 23635

3-phenyl-3-propylazetidine

Structural Information

Molecular Formula
C12H17N
SMILES
CCCC1(CNC1)C2=CC=CC=C2
InChI
InChI=1S/C12H17N/c1-2-8-12(9-13-10-12)11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
InChIKey
CUKZGIUJLFWPNP-UHFFFAOYSA-N
Compound name
3-phenyl-3-propylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

175.1361 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 139.5
[M+Na]+ 198.12532 145.0
[M-H]- 174.12882 143.1
[M+NH4]+ 193.16992 153.2
[M+K]+ 214.09926 144.5
[M+H-H2O]+ 158.13336 128.4
[M+HCOO]- 220.13430 158.8
[M+CH3COO]- 234.14995 181.6
[M+Na-2H]- 196.11077 146.4
[M]+ 175.13555 145.3
[M]- 175.13665 145.3
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