CID 23629

1-butyl-3-phenylazetidine

Structural Information

Molecular Formula
C13H19N
SMILES
CCCCN1CC(C1)C2=CC=CC=C2
InChI
InChI=1S/C13H19N/c1-2-3-9-14-10-13(11-14)12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3
InChIKey
YNCHHTUNHWKKPV-UHFFFAOYSA-N
Compound name
1-butyl-3-phenylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

189.15175 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 140.8
[M+Na]+ 212.14097 146.3
[M-H]- 188.14447 145.5
[M+NH4]+ 207.18557 153.0
[M+K]+ 228.11491 146.4
[M+H-H2O]+ 172.14901 128.6
[M+HCOO]- 234.14995 161.2
[M+CH3COO]- 248.16560 188.6
[M+Na-2H]- 210.12642 146.2
[M]+ 189.15120 148.9
[M]- 189.15230 148.9
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