CID 23625

Azetidine, 1-methyl-3-phenyl-

Structural Information

Molecular Formula
C10H13N
SMILES
CN1CC(C1)C2=CC=CC=C2
InChI
InChI=1S/C10H13N/c1-11-7-10(8-11)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKey
HBSAVFITCIMVRM-UHFFFAOYSA-N
Compound name
1-methyl-3-phenylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

147.1048 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11208 126.7
[M+Na]+ 170.09402 133.5
[M-H]- 146.09752 131.9
[M+NH4]+ 165.13862 140.5
[M+K]+ 186.06796 134.3
[M+H-H2O]+ 130.10206 115.1
[M+HCOO]- 192.10300 148.1
[M+CH3COO]- 206.11865 179.8
[M+Na-2H]- 168.07947 133.8
[M]+ 147.10425 133.8
[M]- 147.10535 133.8
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