CID 23625

1-methyl-3-phenylazetidine

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

48
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 127.5
[M+Na]+ 170.09402 137.0
[M+NH4]+ 165.13862 133.4
[M+K]+ 186.06796 131.7
[M-H]- 146.09752 128.9
[M+Na-2H]- 168.07947 134.2
[M]+ 147.10425 128.1
[M]- 147.10535 128.1
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