CID 17750122

3-aminoazetidine, 3-cbz protected

Structural Information

Molecular Formula
C11H14N2O2
SMILES
C1C(CN1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C11H14N2O2/c14-11(13-10-6-12-7-10)15-8-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14)
InChIKey
UWOOBFRZDNDUQB-UHFFFAOYSA-N
Compound name
benzyl N-(azetidin-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

206.10553 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.112806 144.6
[M+Na]+ 229.094748 148.0
[M-H]- 205.098254 147.7
[M+NH4]+ 224.139353 154.2
[M+K]+ 245.068688 148.8
[M+H-H2O]+ 189.102790 131.2
[M+HCOO]- 251.103731 164.5
[M+CH3COO]- 265.119381 186.5
[M+Na-2H]- 227.080196 149.9
[M]+ 206.10498142 150.1
[M]- 206.10607858 150.1
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