CID 4385248

Methyl 1-benzylazetidine-2-carboxylate

Structural Information

Molecular Formula
C12H15NO2
SMILES
COC(=O)C1CCN1CC2=CC=CC=C2
InChI
InChI=1S/C12H15NO2/c1-15-12(14)11-7-8-13(11)9-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKey
CTFFWKWHYDAMKP-UHFFFAOYSA-N
Compound name
methyl 1-benzylazetidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

205.11028 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.117556 142.8
[M+Na]+ 228.099498 148.2
[M-H]- 204.103004 147.6
[M+NH4]+ 223.144103 153.9
[M+K]+ 244.073438 149.6
[M+H-H2O]+ 188.107540 130.2
[M+HCOO]- 250.108481 162.9
[M+CH3COO]- 264.124131 188.9
[M+Na-2H]- 226.084946 147.2
[M]+ 205.10973142 151.8
[M]- 205.11082858 151.8
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