CID 22249

3-methyl-3-phenylazetidine

Structural Information

Molecular Formula
C10H13N
SMILES
CC1(CNC1)C2=CC=CC=C2
InChI
InChI=1S/C10H13N/c1-10(7-11-8-10)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKey
YOLLUMURPUEOJW-UHFFFAOYSA-N
Compound name
3-methyl-3-phenylazetidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

147.1048 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11208 130.3
[M+Na]+ 170.09402 136.7
[M-H]- 146.09752 134.3
[M+NH4]+ 165.13862 145.1
[M+K]+ 186.06796 136.6
[M+H-H2O]+ 130.10206 119.7
[M+HCOO]- 192.10300 150.3
[M+CH3COO]- 206.11865 175.8
[M+Na-2H]- 168.07947 138.3
[M]+ 147.10425 135.5
[M]- 147.10535 135.5
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